2-cyclopropyl-6-methyl-N-[3-[(4S)-4-methyl-2-oxopiperidin-4-yl]phenyl]pyrimidine-4-carboxamide

C21H24N4O2 — CID 177377718

IUPAC2-cyclopropyl-6-methyl-N-[3-[(4S)-4-methyl-2-oxopiperidin-4-yl]phenyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc([C@@]3(C)CCNC(=O)C3)c2)nc(C2CC2)n1
InChIInChI=1S/C21H24N4O2/c1-13-10-17(25-19(23-13)14-6-7-14)20(27)24-16-5-3-4-15(11-16)21(2)8-9-22-18(26)12-21/h3-5,10-11,14H,6-9,12H2,1-2H3,(H,22,26)(H,24,27)/t21-/m0/s1
InChIKeyMJHAVQLUTIGEJB-NRFANRHFSA-N
MW364.45 g/mol
LogP3.08
Rot. Bonds4

About 2-cyclopropyl-6-methyl-N-[3-[(4S)-4-methyl-2-oxopiperidin-4-yl]phenyl]pyrimidine-4-carboxamide

2-cyclopropyl-6-methyl-N-[3-[(4S)-4-methyl-2-oxopiperidin-4-yl]phenyl]pyrimidine-4-carboxamide (PubChem CID 177377718) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-N-[3-[(4S)-4-methyl-2-oxopiperidin-4-yl]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-N-[3-[(4S)-4-methyl-2-oxopiperidin-4-yl]phenyl]pyrimidine-4-carboxamide
PubChem CID177377718
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-cyclopropyl-6-methyl-N-[3-[(4S)-4-methyl-2-oxopiperidin-4-yl]phenyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc([C@@]3(C)CCNC(=O)C3)c2)nc(C2CC2)n1
InChIInChI=1S/C21H24N4O2/c1-13-10-17(25-19(23-13)14-6-7-14)20(27)24-16-5-3-4-15(11-16)21(2)8-9-22-18(26)12-21/h3-5,10-11,14H,6-9,12H2,1-2H3,(H,22,26)(H,24,27)/t21-/m0/s1
InChIKeyMJHAVQLUTIGEJB-NRFANRHFSA-N
XLogP3.08
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-methylpyrimidine-4-carboxamide
CID 139350437
N-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 163358449
N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110862863
N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110861303
2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide
CID 146080117
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-methylpyrazine-2-carboxamide
CID 75288554
N-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 59570586
2-cyclopropyl-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrimidine-4-carboxamide
CID 170429984
N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332901
N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320193
6-(5-azaspiro[2.4]heptan-5-ylmethyl)-2-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrimidine-4-carboxamide
CID 164869460
2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide
CID 146080226

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-N-[3-[(4S)-4-methyl-2-oxopiperidin-4-yl]phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-methyl-N-[3-[(4S)-4-methyl-2-oxopiperidin-4-yl]phenyl]pyrimidine-4-carboxamide (CID 177377718) is 2-cyclopropyl-6-methyl-N-[3-[(4S)-4-methyl-2-oxopiperidin-4-yl]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-methyl-N-[3-[(4S)-4-methyl-2-oxopiperidin-4-yl]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-methyl-N-[3-[(4S)-4-methyl-2-oxopiperidin-4-yl]phenyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc([C@@]3(C)CCNC(=O)C3)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-methyl-N-[3-[(4S)-4-methyl-2-oxopiperidin-4-yl]phenyl]pyrimidine-4-carboxamide?
The InChIKey is MJHAVQLUTIGEJB-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-10-17(25-19(23-13)14-6-7-14)20(27)24-16-5-3-4-15(11-16)21(2)8-9-22-18(26)12-21/h3-5,10-11,14H,6-9,12H2,1-2H3,(H,22,26)(H,24,27)/t21-/m0/s1.
What are the key properties of 2-cyclopropyl-6-methyl-N-[3-[(4S)-4-methyl-2-oxopiperidin-4-yl]phenyl]pyrimidine-4-carboxamide?
2-cyclopropyl-6-methyl-N-[3-[(4S)-4-methyl-2-oxopiperidin-4-yl]phenyl]pyrimidine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-N-[3-[(4S)-4-methyl-2-oxopiperidin-4-yl]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 177377718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).