4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C21H19N5O2 — CID 94812869

IUPAC4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H19N5O2/c1-2-16(19-23-13-17(24-19)14-8-4-3-5-9-14)25-20(27)15-12-22-18-10-6-7-11-26(18)21(15)28/h3-13,16H,2H2,1H3,(H,23,24)(H,25,27)/t16-/m0/s1
InChIKeyFOACETKDGJMFPW-INIZCTEOSA-N
MW373.42 g/mol
LogP2.97
Rot. Bonds5

About 4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide

4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 94812869) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID94812869
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H19N5O2/c1-2-16(19-23-13-17(24-19)14-8-4-3-5-9-14)25-20(27)15-12-22-18-10-6-7-11-26(18)21(15)28/h3-13,16H,2H2,1H3,(H,23,24)(H,25,27)/t16-/m0/s1
InChIKeyFOACETKDGJMFPW-INIZCTEOSA-N
XLogP2.97
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-3-hydroxy-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 104964893
methyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate
CID 42937719
methyl (3S)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 92863564
4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 103856081
3-(2-methoxyethoxy)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 51099230
3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 94821044
(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 107833801
N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide
CID 94814571
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115410125
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
CID 47076390
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131890136

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 94812869) is 4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide is CC[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FOACETKDGJMFPW-INIZCTEOSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-2-16(19-23-13-17(24-19)14-8-4-3-5-9-14)25-20(27)15-12-22-18-10-6-7-11-26(18)21(15)28/h3-13,16H,2H2,1H3,(H,23,24)(H,25,27)/t16-/m0/s1.
What are the key properties of 4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 94812869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).