2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide

C11H13N5O — CID 62178514

IUPAC2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2cn[nH]c2)ccn1
InChIInChI=1S/C11H13N5O/c1-12-10-4-9(2-3-13-10)11(17)14-5-8-6-15-16-7-8/h2-4,6-7H,5H2,1H3,(H,12,13)(H,14,17)(H,15,16)
InChIKeyNPAQQSMAVVAUSZ-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.78
Rot. Bonds4

About 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide

2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 62178514) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
PubChem CID62178514
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2cn[nH]c2)ccn1
InChIInChI=1S/C11H13N5O/c1-12-10-4-9(2-3-13-10)11(17)14-5-8-6-15-16-7-8/h2-4,6-7H,5H2,1H3,(H,12,13)(H,14,17)(H,15,16)
InChIKeyNPAQQSMAVVAUSZ-UHFFFAOYSA-N
XLogP0.78
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62166427
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 114923162
N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 64523208
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61375925
3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63186396
3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60968015
3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61138669
3-bromo-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735936
3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139806
N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62185958

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide (CID 62178514) is 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide is CNc1cc(C(=O)NCc2cn[nH]c2)ccn1.
What is the InChIKey of 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is NPAQQSMAVVAUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-12-10-4-9(2-3-13-10)11(17)14-5-8-6-15-16-7-8/h2-4,6-7H,5H2,1H3,(H,12,13)(H,14,17)(H,15,16).
What are the key properties of 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide?
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62178514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).