3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate

C76H97ClN16O16 — CID 160973728

IUPAC3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate
SMILESCCc1ccc(N(C)C(=O)Nc2cc(Cl)c(C#N)cn2)nc1C(OC)OC.CCc1ccc(N(C)C(=O)Oc2ccccc2)nc1C(OC)OC.CCc1ccc(NC)cc1C(OC)OC.CNc1ccc(CO)c(C(OC)OC)n1.COCCNc1cc(NC(=O)N(C)c2ccc(CO)c(C=O)n2)ncc1C#N
InChIInChI=1S/C18H20ClN5O3.C18H20N6O4.C18H22N2O4.C12H19NO2.C10H16N2O3/c1-5-11-6-7-15(23-16(11)17(26-3)27-4)24(2)18(25)22-14-8-13(19)12(9-20)10-21-14;1-24(17-4-3-12(10-25)15(11-26)22-17)18(27)23-16-7-14(20-5-6-28-2)13(8-19)9-21-16;1-5-13-11-12-15(19-16(13)17(22-3)23-4)20(2)18(21)24-14-9-7-6-8-10-14;1-5-9-6-7-10(13-2)8-11(9)12(14-3)15-4;1-11-8-5-4-7(6-13)9(12-8)10(14-2)15-3/h6-8,10,17H,5H2,1-4H3,(H,21,22,25);3-4,7,9,11,25H,5-6,10H2,1-2H3,(H2,20,21,23,27);6-12,17H,5H2,1-4H3;6-8,12-13H,5H2,1-4H3;4-5,10,13H,6H2,1-3H3,(H,11,12)
InChIKeySYOYQMWFIKCQAO-UHFFFAOYSA-N
MW1526.16 g/mol
LogP11.96
Rot. Bonds30

About 3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate

3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate (PubChem CID 160973728) has the molecular formula C76H97ClN16O16 and a molecular weight of 1526.16 g/mol. Its IUPAC name is 3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate.

Molecular Properties

Compound Name3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate
PubChem CID160973728
Molecular FormulaC76H97ClN16O16
Molecular Weight1526.16 g/mol
Exact Mass1524.70
IUPAC Name3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate
SMILESCCc1ccc(N(C)C(=O)Nc2cc(Cl)c(C#N)cn2)nc1C(OC)OC.CCc1ccc(N(C)C(=O)Oc2ccccc2)nc1C(OC)OC.CCc1ccc(NC)cc1C(OC)OC.CNc1ccc(CO)c(C(OC)OC)n1.COCCNc1cc(NC(=O)N(C)c2ccc(CO)c(C=O)n2)ncc1C#N
InChIInChI=1S/C18H20ClN5O3.C18H20N6O4.C18H22N2O4.C12H19NO2.C10H16N2O3/c1-5-11-6-7-15(23-16(11)17(26-3)27-4)24(2)18(25)22-14-8-13(19)12(9-20)10-21-14;1-24(17-4-3-12(10-25)15(11-26)22-17)18(27)23-16-7-14(20-5-6-28-2)13(8-19)9-21-16;1-5-13-11-12-15(19-16(13)17(22-3)23-4)20(2)18(21)24-14-9-7-6-8-10-14;1-5-9-6-7-10(13-2)8-11(9)12(14-3)15-4;1-11-8-5-4-7(6-13)9(12-8)10(14-2)15-3/h6-8,10,17H,5H2,1-4H3,(H,21,22,25);3-4,7,9,11,25H,5-6,10H2,1-2H3,(H2,20,21,23,27);6-12,17H,5H2,1-4H3;6-8,12-13H,5H2,1-4H3;4-5,10,13H,6H2,1-3H3,(H,11,12)
InChIKeySYOYQMWFIKCQAO-UHFFFAOYSA-N
XLogP11.96
TPSA395.83 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001526.16
LogP ≤ 511.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-(dimethoxymethyl)-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]-1-methylurea
CID 138633395
3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-[(3-oxomorpholin-4-yl)methyl]-2-pyridinyl]-1-methylurea
CID 138608477
3-[5-cyano-4-(propan-2-ylamino)-2-pyridinyl]-1-[6-(dimethoxymethyl)-5-[[3-(oxomethylidene)morpholin-4-yl]methyl]-2-pyridinyl]-1-methylurea
CID 138608596
7-[(E)-but-1-enyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 144833596
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-ethylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036348
3-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]-1-methylurea
CID 146665404
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 155758545
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[[(1-ethylpyrrolidine-2-carbonyl)-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 134256069
3-[5-cyano-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-1-[6-formyl-5-[(2-hydroxy-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1-methylurea
CID 134182154
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-5-formyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide
CID 168865883
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide
CID 168865854
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-imidazol-1-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036788

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate?
The IUPAC name of 3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate (CID 160973728) is 3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate.
What is the SMILES notation for 3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate?
The canonical SMILES for 3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate is CCc1ccc(N(C)C(=O)Nc2cc(Cl)c(C#N)cn2)nc1C(OC)OC.CCc1ccc(N(C)C(=O)Oc2ccccc2)nc1C(OC)OC.CCc1ccc(NC)cc1C(OC)OC.CNc1ccc(CO)c(C(OC)OC)n1.COCCNc1cc(NC(=O)N(C)c2ccc(CO)c(C=O)n2)ncc1C#N.
What is the InChIKey of 3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate?
The InChIKey is SYOYQMWFIKCQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O3.C18H20N6O4.C18H22N2O4.C12H19NO2.C10H16N2O3/c1-5-11-6-7-15(23-16(11)17(26-3)27-4)24(2)18(25)22-14-8-13(19)12(9-20)10-21-14;1-24(17-4-3-12(10-25)15(11-26)22-17)18(27)23-16-7-14(20-5-6-28-2)13(8-19)9-21-16;1-5-13-11-12-15(19-16(13)17(22-3)23-4)20(2)18(21)24-14-9-7-6-8-10-14;1-5-9-6-7-10(13-2)8-11(9)12(14-3)15-4;1-11-8-5-4-7(6-13)9(12-8)10(14-2)15-3/h6-8,10,17H,5H2,1-4H3,(H,21,22,25);3-4,7,9,11,25H,5-6,10H2,1-2H3,(H2,20,21,23,27);6-12,17H,5H2,1-4H3;6-8,12-13H,5H2,1-4H3;4-5,10,13H,6H2,1-3H3,(H,11,12).
What are the key properties of 3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate?
3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate has a molecular weight of 1526.16 g/mol, XLogP of 11.96, 30 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-cyano-2-pyridinyl)-1-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-1-methylurea;3-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-1-[6-formyl-5-(hydroxymethyl)-2-pyridinyl]-1-methylurea;3-(dimethoxymethyl)-4-ethyl-N-methylaniline;[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methanol;phenyl N-[6-(dimethoxymethyl)-5-ethyl-2-pyridinyl]-N-methylcarbamate is sourced from PubChem (CID 160973728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).