[2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid

C23H22Cl2N4O4 — CID 146371118

IUPAC[2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid
SMILESCCOc1ncc(C)cc1-c1cc(CNC(=O)O)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C23H22Cl2N4O4/c1-3-33-22-16(6-13(2)10-27-22)19-8-15(12-28-23(31)32)9-20(29-19)21(30)26-11-14-4-5-17(24)18(25)7-14/h4-10,28H,3,11-12H2,1-2H3,(H,26,30)(H,31,32)
InChIKeyCUGZFYWAGOUMNP-UHFFFAOYSA-N
MW489.36 g/mol
LogP4.86
Rot. Bonds8

About [2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid

[2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid (PubChem CID 146371118) has the molecular formula C23H22Cl2N4O4 and a molecular weight of 489.36 g/mol. Its IUPAC name is [2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid.

Molecular Properties

Compound Name[2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid
PubChem CID146371118
Molecular FormulaC23H22Cl2N4O4
Molecular Weight489.36 g/mol
Exact Mass488.10
IUPAC Name[2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid
SMILESCCOc1ncc(C)cc1-c1cc(CNC(=O)O)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C23H22Cl2N4O4/c1-3-33-22-16(6-13(2)10-27-22)19-8-15(12-28-23(31)32)9-20(29-19)21(30)26-11-14-4-5-17(24)18(25)7-14/h4-10,28H,3,11-12H2,1-2H3,(H,26,30)(H,31,32)
InChIKeyCUGZFYWAGOUMNP-UHFFFAOYSA-N
XLogP4.86
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.36
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid with MolForge

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Related Compounds

tert-butyl N-[[2-(5-chloro-2-methoxy-3-pyridinyl)-6-[(3,4-dichlorophenyl)methylcarbamoyl]-4-pyridinyl]methyl]carbamate
CID 153453514
4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 146456811
tert-butyl N-[[2-chloro-6-[(3,4-dichlorophenyl)methylcarbamoyl]-4-pyridinyl]methyl]carbamate
CID 146388370
N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide
CID 146370810
4-(bromomethyl)-N-[(4-chloro-3-methylphenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 146457797
tert-butyl N-[[2-chloro-6-[(4-chloro-3-methylphenyl)methylcarbamoyl]-4-pyridinyl]methyl]carbamate
CID 153453641
N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051090
6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 75513273
N-[(4-chlorophenyl)methyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327781
(2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide
CID 71229893
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813
2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5100414

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid?
The IUPAC name of [2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid (CID 146371118) is [2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid.
What is the SMILES notation for [2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid?
The canonical SMILES for [2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid is CCOc1ncc(C)cc1-c1cc(CNC(=O)O)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of [2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid?
The InChIKey is CUGZFYWAGOUMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O4/c1-3-33-22-16(6-13(2)10-27-22)19-8-15(12-28-23(31)32)9-20(29-19)21(30)26-11-14-4-5-17(24)18(25)7-14/h4-10,28H,3,11-12H2,1-2H3,(H,26,30)(H,31,32).
What are the key properties of [2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid?
[2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid has a molecular weight of 489.36 g/mol, XLogP of 4.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid is sourced from PubChem (CID 146371118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).