3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide

C14H18N4O — CID 125442338

IUPAC3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cncn1C)c1ccccn1
InChIInChI=1S/C14H18N4O/c1-10(2)13(11-6-4-5-7-16-11)17-14(19)12-8-15-9-18(12)3/h4-10,13H,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyYGAIIFHPUHBBEN-ZDUSSCGKSA-N
MW258.32 g/mol
LogP1.94
Rot. Bonds4

About 3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide

3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide (PubChem CID 125442338) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide
PubChem CID125442338
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cncn1C)c1ccccn1
InChIInChI=1S/C14H18N4O/c1-10(2)13(11-6-4-5-7-16-11)17-14(19)12-8-15-9-18(12)3/h4-10,13H,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyYGAIIFHPUHBBEN-ZDUSSCGKSA-N
XLogP1.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)imidazo[2,1-e]pyrazole-7-carboxamide
CID 50969158
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 125439959
N-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide
CID 103511037
5-methoxy-N-(2-methyl-1-pyridin-2-ylpropyl)furan-2-carboxamide
CID 91790024
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylimidazole-4-carboxamide
CID 103510985
N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide
CID 110863425
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97079268
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 118778490
6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride
CID 86814402
(1S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78921600
3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide
CID 95981391
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide
CID 125173754

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide (CID 125442338) is 3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide is CC(C)[C@H](NC(=O)c1cncn1C)c1ccccn1.
What is the InChIKey of 3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide?
The InChIKey is YGAIIFHPUHBBEN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)13(11-6-4-5-7-16-11)17-14(19)12-8-15-9-18(12)3/h4-10,13H,1-3H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide?
3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide is sourced from PubChem (CID 125442338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).