N-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C22H23N3O2 — CID 126668398

IUPACN-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)Nc3ccc(C4CCCCC4)cc3)c(=O)n12
InChIInChI=1S/C22H23N3O2/c1-15-6-5-9-20-23-14-19(22(27)25(15)20)21(26)24-18-12-10-17(11-13-18)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,24,26)
InChIKeyHIBBELQFRPEQON-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.30
Rot. Bonds3

About N-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 126668398) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID126668398
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)Nc3ccc(C4CCCCC4)cc3)c(=O)n12
InChIInChI=1S/C22H23N3O2/c1-15-6-5-9-20-23-14-19(22(27)25(15)20)21(26)24-18-12-10-17(11-13-18)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,24,26)
InChIKeyHIBBELQFRPEQON-UHFFFAOYSA-N
XLogP4.30
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 118775695
6-methyl-4-oxo-N-[2-[(3R)-oxolan-3-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 126454044
N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide
CID 110466735
N-(4-cyclohexylphenyl)benzamide
CID 10333838
ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate
CID 3079295
N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide
CID 143736816
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467
N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 52689645
N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 73213157
N-(4-chlorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5046966
1-cyclohexyl-3-(4-cyclopentylphenyl)urea
CID 170179753
N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane
CID 176960927

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 126668398) is N-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2ncc(C(=O)Nc3ccc(C4CCCCC4)cc3)c(=O)n12.
What is the InChIKey of N-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is HIBBELQFRPEQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-6-5-9-20-23-14-19(22(27)25(15)20)21(26)24-18-12-10-17(11-13-18)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,24,26).
What are the key properties of N-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126668398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).