3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide

C24H21ClN4O2 — CID 23602521

IUPAC3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
SMILESO=C(CCc1nc2ncccc2c(=O)n1Cc1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN4O2/c25-19-10-8-17(9-11-19)15-27-22(30)13-12-21-28-23-20(7-4-14-26-23)24(31)29(21)16-18-5-2-1-3-6-18/h1-11,14H,12-13,15-16H2,(H,27,30)
InChIKeyMXGVPHXROLLICR-UHFFFAOYSA-N
MW432.91 g/mol
LogP3.74
Rot. Bonds7

About 3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide

3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide (PubChem CID 23602521) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
PubChem CID23602521
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
SMILESO=C(CCc1nc2ncccc2c(=O)n1Cc1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN4O2/c25-19-10-8-17(9-11-19)15-27-22(30)13-12-21-28-23-20(7-4-14-26-23)24(31)29(21)16-18-5-2-1-3-6-18/h1-11,14H,12-13,15-16H2,(H,27,30)
InChIKeyMXGVPHXROLLICR-UHFFFAOYSA-N
XLogP3.74
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 23602540
N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]-3-phenylpropanamide
CID 71706166
N-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide
CID 23602542
N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 17462773
3-(4-benzyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 20880764
3-[4-[(4-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 16832838
N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 6622635
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753
3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 53159170
N-[2-(4-chlorophenyl)ethyl]-3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
CID 20880908
N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360101
N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445601

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide (CID 23602521) is 3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide is O=C(CCc1nc2ncccc2c(=O)n1Cc1ccccc1)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide?
The InChIKey is MXGVPHXROLLICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c25-19-10-8-17(9-11-19)15-27-22(30)13-12-21-28-23-20(7-4-14-26-23)24(31)29(21)16-18-5-2-1-3-6-18/h1-11,14H,12-13,15-16H2,(H,27,30).
What are the key properties of 3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide?
3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide has a molecular weight of 432.91 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 23602521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).