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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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).