2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide

C17H19N3O3 — CID 84574680

IUPAC2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2NC2CC2)cc1OC
InChIInChI=1S/C17H19N3O3/c1-22-14-8-7-12(10-15(14)23-2)20-17(21)13-4-3-9-18-16(13)19-11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyHWOLHZWFFGPSPH-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.93
Rot. Bonds6

About 2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide

2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 84574680) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
PubChem CID84574680
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2NC2CC2)cc1OC
InChIInChI=1S/C17H19N3O3/c1-22-14-8-7-12(10-15(14)23-2)20-17(21)13-4-3-9-18-16(13)19-11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyHWOLHZWFFGPSPH-UHFFFAOYSA-N
XLogP2.93
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898343
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide
CID 166361415
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
2-(cyclohexylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632911
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 84573928
3-N-cyclopropyl-1-N-(3,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109050802
2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84574316
2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 87509097

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide (CID 84574680) is 2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2NC2CC2)cc1OC.
What is the InChIKey of 2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is HWOLHZWFFGPSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-14-8-7-12(10-15(14)23-2)20-17(21)13-4-3-9-18-16(13)19-11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide?
2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 84574680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).