N-[(2S)-2-benzylbutyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C20H21N3O2 — CID 164643269

IUPACN-[(2S)-2-benzylbutyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC[C@H](CNC(=O)c1cnc2ccccn2c1=O)Cc1ccccc1
InChIInChI=1S/C20H21N3O2/c1-2-15(12-16-8-4-3-5-9-16)13-22-19(24)17-14-21-18-10-6-7-11-23(18)20(17)25/h3-11,14-15H,2,12-13H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeySFMTYTFQMPLXCF-HNNXBMFYSA-N
MW335.41 g/mol
LogP2.69
Rot. Bonds6

About N-[(2S)-2-benzylbutyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(2S)-2-benzylbutyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 164643269) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(2S)-2-benzylbutyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-benzylbutyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID164643269
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(2S)-2-benzylbutyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC[C@H](CNC(=O)c1cnc2ccccn2c1=O)Cc1ccccc1
InChIInChI=1S/C20H21N3O2/c1-2-15(12-16-8-4-3-5-9-16)13-22-19(24)17-14-21-18-10-6-7-11-23(18)20(17)25/h3-11,14-15H,2,12-13H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeySFMTYTFQMPLXCF-HNNXBMFYSA-N
XLogP2.69
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Imino-8-methyl-10-oxo-1-phenethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid cyclopentylamide
CID 1077317
N-ethyl-2-imino-10-methyl-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 660368
2-Imino-1-(2-methoxyethyl)-10-methyl-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 2930384
6-imino-2-oxo-N-(1-phenylethyl)-7-propyl-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151369
N-Allyl-2-imino-10-methyl-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 4370685
Mls002693570
CID 248888
7-benzyl-6-imino-2-oxo-N-[(1S)-1-phenylethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1320906
[2-imino-5-oxo-1-benzyl(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-y l)]-N-(2-phenylethyl)carboxamide
CID 3711050
7-benzyl-6-imino-2-oxo-N-(3-phenylpropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145965928
7-benzyl-6-imino-12-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145978394
7-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010494
2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458502

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-benzylbutyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-2-benzylbutyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 164643269) is N-[(2S)-2-benzylbutyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-benzylbutyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-benzylbutyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC[C@H](CNC(=O)c1cnc2ccccn2c1=O)Cc1ccccc1.
What is the InChIKey of N-[(2S)-2-benzylbutyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is SFMTYTFQMPLXCF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-15(12-16-8-4-3-5-9-16)13-22-19(24)17-14-21-18-10-6-7-11-23(18)20(17)25/h3-11,14-15H,2,12-13H2,1H3,(H,22,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-benzylbutyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(2S)-2-benzylbutyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-benzylbutyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164643269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).