N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide

C18H18N4O2 — CID 8606946

IUPACN-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(-n2c(C)nc3ncccc3c2=O)c1
InChIInChI=1S/C18H18N4O2/c1-3-6-16(23)21-13-7-4-8-14(11-13)22-12(2)20-17-15(18(22)24)9-5-10-19-17/h4-5,7-11H,3,6H2,1-2H3,(H,21,23)
InChIKeyPZMLTJIQFNRWDI-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.83
Rot. Bonds4

About N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide

N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide (PubChem CID 8606946) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
PubChem CID8606946
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(-n2c(C)nc3ncccc3c2=O)c1
InChIInChI=1S/C18H18N4O2/c1-3-6-16(23)21-13-7-4-8-14(11-13)22-12(2)20-17-15(18(22)24)9-5-10-19-17/h4-5,7-11H,3,6H2,1-2H3,(H,21,23)
InChIKeyPZMLTJIQFNRWDI-UHFFFAOYSA-N
XLogP2.83
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
CID 8606941
4-ethoxy-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8607118
2-methyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606966
3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8607046
3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one
CID 86151328
3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide
CID 8606681
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
CID 8606668
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 16812884
ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate
CID 124926423
2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 7294904
4-methyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606476

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide?
The IUPAC name of N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide (CID 8606946) is N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide.
What is the SMILES notation for N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide?
The canonical SMILES for N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide is CCCC(=O)Nc1cccc(-n2c(C)nc3ncccc3c2=O)c1.
What is the InChIKey of N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide?
The InChIKey is PZMLTJIQFNRWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-3-6-16(23)21-13-7-4-8-14(11-13)22-12(2)20-17-15(18(22)24)9-5-10-19-17/h4-5,7-11H,3,6H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide?
N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide has a molecular weight of 322.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide is sourced from PubChem (CID 8606946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).