N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide

C13H17N5O — CID 62239806

IUPACN-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)Nc2cnn(C)c2)n1
InChIInChI=1S/C13H17N5O/c1-3-7-14-12-6-4-5-11(17-12)13(19)16-10-8-15-18(2)9-10/h4-6,8-9H,3,7H2,1-2H3,(H,14,17)(H,16,19)
InChIKeyWCAQJOQMNBNXIK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.89
Rot. Bonds5

About N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide

N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 62239806) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID62239806
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)Nc2cnn(C)c2)n1
InChIInChI=1S/C13H17N5O/c1-3-7-14-12-6-4-5-11(17-12)13(19)16-10-8-15-18(2)9-10/h4-6,8-9H,3,7H2,1-2H3,(H,14,17)(H,16,19)
InChIKeyWCAQJOQMNBNXIK-UHFFFAOYSA-N
XLogP1.89
TPSA71.84 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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-4-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104640241
N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 63499138
N-(2-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240814
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
N-(4,6-dimethyl-2-pyridinyl)-6-(propylamino)pyridine-2-carboxamide
CID 114933112
N-(2-fluorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62239443
N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid
CID 122047981
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide
CID 106049832
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
CID 114389388
6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80816894
N-(2,5-dichlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240936

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide (CID 62239806) is N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)Nc2cnn(C)c2)n1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is WCAQJOQMNBNXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-7-14-12-6-4-5-11(17-12)13(19)16-10-8-15-18(2)9-10/h4-6,8-9H,3,7H2,1-2H3,(H,14,17)(H,16,19).
What are the key properties of N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide?
N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62239806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).