6-(4-acetylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one

C19H18N4O2 — CID 30467471

IUPAC6-(4-acetylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
SMILESCC(=O)c1ccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)cc1
InChIInChI=1S/C19H18N4O2/c1-13(24)14-4-6-15(7-5-14)23-11-8-17-16(18(23)25)12-20-19(21-17)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10H2,1H3
InChIKeyFTFMHPZGBIOWQX-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.58
Rot. Bonds3

About 6-(4-acetylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one

6-(4-acetylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 30467471) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-(4-acetylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-(4-acetylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
PubChem CID30467471
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name6-(4-acetylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
SMILESCC(=O)c1ccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)cc1
InChIInChI=1S/C19H18N4O2/c1-13(24)14-4-6-15(7-5-14)23-11-8-17-16(18(23)25)12-20-19(21-17)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10H2,1H3
InChIKeyFTFMHPZGBIOWQX-UHFFFAOYSA-N
XLogP2.58
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-(2-aminopyrimidin-4-yl)-1-propyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585151
2-(2-aminopyrimidin-4-yl)-1-butyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585152
8-Cyclohexyl-N-Methoxy-5-Oxo-2-{[4-(2-Pyrrolidin-1-Ylethyl)phenyl]amino}-5,8-Dihydropyrido[2,3-D]pyrimidine-6-Carboxamide
CID 24938241
2-(2-aminopyrimidin-4-yl)-1-benzyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190899
N-{5-[2-(Methylamino)pyrimidin-4-Yl]-2-Oxo-1,2-Dihydropyridin-3-Yl}-4-(Piperidin-1-Yl)benzamide
CID 52936531
Jnk-IN-2
CID 57340680
2-[4-(4-Nitrobenzoyl)piperazin-1-yl]pyrimidine
CID 843085
2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 943239
1-methyl-4-oxo-N-pyridin-2-yl-1,4-dihydroquinoline-3-carboxamide
CID 5297270
7-methyl-2-[(3-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665688
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-(4-acetylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one (CID 30467471) is 6-(4-acetylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-(4-acetylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-(4-acetylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one is CC(=O)c1ccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)cc1.
What is the InChIKey of 6-(4-acetylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is FTFMHPZGBIOWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13(24)14-4-6-15(7-5-14)23-11-8-17-16(18(23)25)12-20-19(21-17)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10H2,1H3.
What are the key properties of 6-(4-acetylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
6-(4-acetylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 334.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 30467471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).