2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide

C13H17N5O — CID 114325720

IUPAC2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(Cn1cccn1)NC(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H17N5O/c1-10(9-18-6-2-4-16-18)17-13(19)11-3-5-15-12(7-11)8-14/h2-7,10H,8-9,14H2,1H3,(H,17,19)
InChIKeyKTUPHNKMJMRKFD-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.56
Rot. Bonds5

About 2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide

2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 114325720) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
PubChem CID114325720
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(Cn1cccn1)NC(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H17N5O/c1-10(9-18-6-2-4-16-18)17-13(19)11-3-5-15-12(7-11)8-14/h2-7,10H,8-9,14H2,1H3,(H,17,19)
InChIKeyKTUPHNKMJMRKFD-UHFFFAOYSA-N
XLogP0.56
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607050
3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459817
2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 113277873
CID 178032891
CID 178032891
2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide
CID 114326274
2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 114326347
2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
ethyl 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]propanoate
CID 113277806
2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459775
4-chloro-3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61041075

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide (CID 114325720) is 2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide is CC(Cn1cccn1)NC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is KTUPHNKMJMRKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10(9-18-6-2-4-16-18)17-13(19)11-3-5-15-12(7-11)8-14/h2-7,10H,8-9,14H2,1H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114325720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).