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

C17H19N3O2 — CID 109223782

IUPAC5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cncc(NC2CC2)c1
InChIInChI=1S/C17H19N3O2/c1-22-16-5-3-2-4-12(16)10-19-17(21)13-8-15(11-18-9-13)20-14-6-7-14/h2-5,8-9,11,14,20H,6-7,10H2,1H3,(H,19,21)
InChIKeyQABPYJSSFMTJQE-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.59
Rot. Bonds6

About 5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109223782) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109223782
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cncc(NC2CC2)c1
InChIInChI=1S/C17H19N3O2/c1-22-16-5-3-2-4-12(16)10-19-17(21)13-8-15(11-18-9-13)20-14-6-7-14/h2-5,8-9,11,14,20H,6-7,10H2,1H3,(H,19,21)
InChIKeyQABPYJSSFMTJQE-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

N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide
CID 109222992
5-(2,6-diethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234214
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231985
5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109224564
5-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236584
5-[(4-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109233661
5-N-(2-methoxyphenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105762
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860
5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234228
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234177
3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109105740
5-N-(3-fluorophenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105765

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 109223782) is 5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1cncc(NC2CC2)c1.
What is the InChIKey of 5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is QABPYJSSFMTJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-16-5-3-2-4-12(16)10-19-17(21)13-8-15(11-18-9-13)20-14-6-7-14/h2-5,8-9,11,14,20H,6-7,10H2,1H3,(H,19,21).
What are the key properties of 5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
5-(cyclopropylamino)-N-[(2-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 5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109223782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).