N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide

C16H18N4O2 — CID 118740645

IUPACN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccnc(C(NC(=O)c2ccc(=O)[nH]c2C)C2CC2)n1
InChIInChI=1S/C16H18N4O2/c1-9-7-8-17-15(18-9)14(11-3-4-11)20-16(22)12-5-6-13(21)19-10(12)2/h5-8,11,14H,3-4H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGOEFMIBOKFMVAO-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.66
Rot. Bonds4

About N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide

N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 118740645) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID118740645
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccnc(C(NC(=O)c2ccc(=O)[nH]c2C)C2CC2)n1
InChIInChI=1S/C16H18N4O2/c1-9-7-8-17-15(18-9)14(11-3-4-11)20-16(22)12-5-6-13(21)19-10(12)2/h5-8,11,14H,3-4H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGOEFMIBOKFMVAO-UHFFFAOYSA-N
XLogP1.66
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47491854
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 72050226
3-amino-5-[2-(cyclopropylamino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 145979750
N-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223208
N-[2-(diethylamino)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102122
6-{2-[(2-Butyl-6-methyl-4-pyrimidinyl)amino]ethyl}-2-hydroxy-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carbonitrile
CID 56700996
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrimidine-4-carboxamide
CID 72049028
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylpyrimidine-5-carboxamide
CID 72050313
5-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 75396080
6-oxo-N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)-1,6-dihydropyridine-3-carboxamide
CID 91631417
2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide
CID 95191536
1-propan-2-yl-3-[[(3R)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]urea
CID 95214895

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 118740645) is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide is Cc1ccnc(C(NC(=O)c2ccc(=O)[nH]c2C)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GOEFMIBOKFMVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-9-7-8-17-15(18-9)14(11-3-4-11)20-16(22)12-5-6-13(21)19-10(12)2/h5-8,11,14H,3-4H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 118740645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).