2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

C17H19N3O2 — CID 84573928

IUPAC2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccnc2NC2CC2)cc1
InChIInChI=1S/C17H19N3O2/c1-22-14-8-4-12(5-9-14)11-19-17(21)15-3-2-10-18-16(15)20-13-6-7-13/h2-5,8-10,13H,6-7,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyJXYFSYYPVBABCR-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.59
Rot. Bonds6

About 2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 84573928) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID84573928
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccnc2NC2CC2)cc1
InChIInChI=1S/C17H19N3O2/c1-22-14-8-4-12(5-9-14)11-19-17(21)15-3-2-10-18-16(15)20-13-6-7-13/h2-5,8-10,13H,6-7,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyJXYFSYYPVBABCR-UHFFFAOYSA-N
XLogP2.59
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 84574884
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701358
6-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109093839
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162853
2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 84574680
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109319676
N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180638
1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 47235934

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 84573928) is 2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cccnc2NC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is JXYFSYYPVBABCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-14-8-4-12(5-9-14)11-19-17(21)15-3-2-10-18-16(15)20-13-6-7-13/h2-5,8-10,13H,6-7,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 84573928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).