N-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine

C18H22Cl2N4O2 — CID 142482296

IUPACN-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine
SMILESCNC.Cc1ccnc(C(C)C)c1N(C=O)c1nc(Cl)c(Cl)cc1C=O
InChIInChI=1S/C16H15Cl2N3O2.C2H7N/c1-9(2)13-14(10(3)4-5-19-13)21(8-23)16-11(7-22)6-12(17)15(18)20-16;1-3-2/h4-9H,1-3H3;3H,1-2H3
InChIKeyTUPCJLKMKZOEPH-UHFFFAOYSA-N
MW397.31 g/mol
LogP4.16
Rot. Bonds5

About N-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine

N-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine (PubChem CID 142482296) has the molecular formula C18H22Cl2N4O2 and a molecular weight of 397.31 g/mol. Its IUPAC name is N-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine.

Molecular Properties

Compound NameN-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine
PubChem CID142482296
Molecular FormulaC18H22Cl2N4O2
Molecular Weight397.31 g/mol
Exact Mass396.11
IUPAC NameN-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine
SMILESCNC.Cc1ccnc(C(C)C)c1N(C=O)c1nc(Cl)c(Cl)cc1C=O
InChIInChI=1S/C16H15Cl2N3O2.C2H7N/c1-9(2)13-14(10(3)4-5-19-13)21(8-23)16-11(7-22)6-12(17)15(18)20-16;1-3-2/h4-9H,1-3H3;3H,1-2H3
InChIKeyTUPCJLKMKZOEPH-UHFFFAOYSA-N
XLogP4.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Dipyridodiazepinone deriv. 8
CID 463137
Dipyridodiazepinone deriv. 14
CID 463143
Dipyridodiazepinone deriv. 15
CID 463144
5-Chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470667
5-Chloro-2-ethyl-9-methyl-13-[(phenylamino)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470669
13-{[(3-Aminophenyl)amino]methyl}-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470675
[3-(2-{5-Chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-13-yl}ethyl)phenyl]urea
CID 470748
5-Chloro-2-ethyl-9-methyl-13-[2-(2-methylpyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470758
Rac-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(2-ethylpiperidin-1-yl)methanone
CID 23725698
(5-Chloro-6-((6-methylpyridin-3-yl)amino)pyridin-3-yl)-((2R)-2-ethylpiperidin-1-yl)methanone
CID 23725699
N-(3-{(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl}phenyl)-6-methylnicotinamide
CID 25218451
4-Chloro-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453334

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine?
The IUPAC name of N-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine (CID 142482296) is N-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine.
What is the SMILES notation for N-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine?
The canonical SMILES for N-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine is CNC.Cc1ccnc(C(C)C)c1N(C=O)c1nc(Cl)c(Cl)cc1C=O.
What is the InChIKey of N-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine?
The InChIKey is TUPCJLKMKZOEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2.C2H7N/c1-9(2)13-14(10(3)4-5-19-13)21(8-23)16-11(7-22)6-12(17)15(18)20-16;1-3-2/h4-9H,1-3H3;3H,1-2H3.
What are the key properties of N-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine?
N-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine has a molecular weight of 397.31 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine is sourced from PubChem (CID 142482296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).