N-(1-methylpyrazol-3-yl)-4-(propylamino)pyridine-2-carboxamide

C13H17N5O — CID 62179498

IUPACN-(1-methylpyrazol-3-yl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C13H17N5O/c1-3-6-14-10-4-7-15-11(9-10)13(19)16-12-5-8-18(2)17-12/h4-5,7-9H,3,6H2,1-2H3,(H,14,15)(H,16,17,19)
InChIKeyHWBKRKZUAWNMTN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.89
Rot. Bonds5

About N-(1-methylpyrazol-3-yl)-4-(propylamino)pyridine-2-carboxamide

N-(1-methylpyrazol-3-yl)-4-(propylamino)pyridine-2-carboxamide (PubChem CID 62179498) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-4-(propylamino)pyridine-2-carboxamide
PubChem CID62179498
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(1-methylpyrazol-3-yl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C13H17N5O/c1-3-6-14-10-4-7-15-11(9-10)13(19)16-12-5-8-18(2)17-12/h4-5,7-9H,3,6H2,1-2H3,(H,14,15)(H,16,17,19)
InChIKeyHWBKRKZUAWNMTN-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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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-4-(propylamino)pyridine-2-carboxamide (CID 62179498) is N-(1-methylpyrazol-3-yl)-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)Nc2ccn(C)n2)c1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is HWBKRKZUAWNMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-6-14-10-4-7-15-11(9-10)13(19)16-12-5-8-18(2)17-12/h4-5,7-9H,3,6H2,1-2H3,(H,14,15)(H,16,17,19).
What are the key properties of N-(1-methylpyrazol-3-yl)-4-(propylamino)pyridine-2-carboxamide?
N-(1-methylpyrazol-3-yl)-4-(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-3-yl)-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62179498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).