2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide

C20H21N3O3 — CID 135681014

IUPAC2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NC(C)CCc3ccccc3)c(O)nc2c1
InChIInChI=1S/C20H21N3O3/c1-13-10-11-23-16(12-13)22-19(25)17(20(23)26)18(24)21-14(2)8-9-15-6-4-3-5-7-15/h3-7,10-12,14,25H,8-9H2,1-2H3,(H,21,24)
InChIKeyCWWOPDBCYMXJLE-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.46
Rot. Bonds5

About 2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681014) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681014
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NC(C)CCc3ccccc3)c(O)nc2c1
InChIInChI=1S/C20H21N3O3/c1-13-10-11-23-16(12-13)22-19(25)17(20(23)26)18(24)21-14(2)8-9-15-6-4-3-5-7-15/h3-7,10-12,14,25H,8-9H2,1-2H3,(H,21,24)
InChIKeyCWWOPDBCYMXJLE-UHFFFAOYSA-N
XLogP2.46
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681007
2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680993
N-(cyclohexylmethyl)-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790855
6-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3659394
2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 42909032
2-hydroxy-8-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135891700
2-amino-1-(3-methylphenyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2011188
6,10-dimethyl-2-oxo-N-(4-phenylbutan-2-yl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3604023
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
3-(2-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-phenylbutan-2-yl)propanamide
CID 4155057
2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 2566393
5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 7322431

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681014) is 2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NC(C)CCc3ccccc3)c(O)nc2c1.
What is the InChIKey of 2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is CWWOPDBCYMXJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-10-11-23-16(12-13)22-19(25)17(20(23)26)18(24)21-14(2)8-9-15-6-4-3-5-7-15/h3-7,10-12,14,25H,8-9H2,1-2H3,(H,21,24).
What are the key properties of 2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).