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

C11H13N5O — CID 64523208

IUPACN-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2ncc[nH]2)ccn1
InChIInChI=1S/C11H13N5O/c1-12-9-6-8(2-3-13-9)11(17)16-7-10-14-4-5-15-10/h2-6H,7H2,1H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyFVIKNLZXLKXUHF-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.78
Rot. Bonds4

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

N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 64523208) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID64523208
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2ncc[nH]2)ccn1
InChIInChI=1S/C11H13N5O/c1-12-9-6-8(2-3-13-9)11(17)16-7-10-14-4-5-15-10/h2-6H,7H2,1H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyFVIKNLZXLKXUHF-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
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 62178514
3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 64519520
2-(methylamino)-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55204056
2-(methylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 114185141
2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55042664
N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 83115078
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 106377305
3-(N'-hydroxycarbamimidoyl)-N-(1H-imidazol-2-ylmethyl)benzamide
CID 77046331
N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide
CID 104628370
2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175030
6-amino-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide
CID 64525972

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide (CID 64523208) is N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCc2ncc[nH]2)ccn1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is FVIKNLZXLKXUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-12-9-6-8(2-3-13-9)11(17)16-7-10-14-4-5-15-10/h2-6H,7H2,1H3,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide?
N-(1H-imidazol-2-ylmethyl)-2-(methylamino)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 N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 64523208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).