2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide

C21H26N4O2 — CID 109332978

IUPAC2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2nc(C)cc(C(=O)NC3CCCCCC3)n2)c1
InChIInChI=1S/C21H26N4O2/c1-14-12-19(20(27)23-17-9-5-3-4-6-10-17)25-21(22-14)24-18-11-7-8-16(13-18)15(2)26/h7-8,11-13,17H,3-6,9-10H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyOPNWWNUTBKJTDJ-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.18
Rot. Bonds5

About 2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide

2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide (PubChem CID 109332978) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
PubChem CID109332978
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2nc(C)cc(C(=O)NC3CCCCCC3)n2)c1
InChIInChI=1S/C21H26N4O2/c1-14-12-19(20(27)23-17-9-5-3-4-6-10-17)25-21(22-14)24-18-11-7-8-16(13-18)15(2)26/h7-8,11-13,17H,3-6,9-10H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyOPNWWNUTBKJTDJ-UHFFFAOYSA-N
XLogP4.18
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174
N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109322884
1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112910457
2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095376
5-(3-acetylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183026
5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide
CID 109274767
N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332948
methyl 4-[[4-(cyclopentylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322233
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049
2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337165
2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide
CID 109247399
2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337527

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide (CID 109332978) is 2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide is CC(=O)c1cccc(Nc2nc(C)cc(C(=O)NC3CCCCCC3)n2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is OPNWWNUTBKJTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-12-19(20(27)23-17-9-5-3-4-6-10-17)25-21(22-14)24-18-11-7-8-16(13-18)15(2)26/h7-8,11-13,17H,3-6,9-10H2,1-2H3,(H,23,27)(H,22,24,25).
What are the key properties of 2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide?
2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).