1-methyl-6-(3-phenylpiperidin-1-yl)-4-pyrimidin-4-ylpyridin-2-one

C21H22N4O — CID 53318413

IUPAC1-methyl-6-(3-phenylpiperidin-1-yl)-4-pyrimidin-4-ylpyridin-2-one
SMILESCn1c(N2CCCC(c3ccccc3)C2)cc(-c2ccncn2)cc1=O
InChIInChI=1S/C21H22N4O/c1-24-20(12-18(13-21(24)26)19-9-10-22-15-23-19)25-11-5-8-17(14-25)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,15,17H,5,8,11,14H2,1H3
InChIKeyNHOFDLRPFQRUEJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.23
Rot. Bonds3

About 1-methyl-6-(3-phenylpiperidin-1-yl)-4-pyrimidin-4-ylpyridin-2-one

1-methyl-6-(3-phenylpiperidin-1-yl)-4-pyrimidin-4-ylpyridin-2-one (PubChem CID 53318413) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-methyl-6-(3-phenylpiperidin-1-yl)-4-pyrimidin-4-ylpyridin-2-one.

Molecular Properties

Compound Name1-methyl-6-(3-phenylpiperidin-1-yl)-4-pyrimidin-4-ylpyridin-2-one
PubChem CID53318413
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-methyl-6-(3-phenylpiperidin-1-yl)-4-pyrimidin-4-ylpyridin-2-one
SMILESCn1c(N2CCCC(c3ccccc3)C2)cc(-c2ccncn2)cc1=O
InChIInChI=1S/C21H22N4O/c1-24-20(12-18(13-21(24)26)19-9-10-22-15-23-19)25-11-5-8-17(14-25)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,15,17H,5,8,11,14H2,1H3
InChIKeyNHOFDLRPFQRUEJ-UHFFFAOYSA-N
XLogP3.23
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

FK-3453
CID 52939114
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
2-(phenylamino)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330226
8-butyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330228
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 43
CID 5330229
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51
CID 5330237
Pyrido[2,3-d]pyrimidin-7-one 8
CID 5330336
Pyrido[2,3-d]pyrimidin-7-one 13
CID 5330340
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 16726085
(3-Fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone
CID 76283989
2-[(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005631

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(3-phenylpiperidin-1-yl)-4-pyrimidin-4-ylpyridin-2-one?
The IUPAC name of 1-methyl-6-(3-phenylpiperidin-1-yl)-4-pyrimidin-4-ylpyridin-2-one (CID 53318413) is 1-methyl-6-(3-phenylpiperidin-1-yl)-4-pyrimidin-4-ylpyridin-2-one.
What is the SMILES notation for 1-methyl-6-(3-phenylpiperidin-1-yl)-4-pyrimidin-4-ylpyridin-2-one?
The canonical SMILES for 1-methyl-6-(3-phenylpiperidin-1-yl)-4-pyrimidin-4-ylpyridin-2-one is Cn1c(N2CCCC(c3ccccc3)C2)cc(-c2ccncn2)cc1=O.
What is the InChIKey of 1-methyl-6-(3-phenylpiperidin-1-yl)-4-pyrimidin-4-ylpyridin-2-one?
The InChIKey is NHOFDLRPFQRUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-24-20(12-18(13-21(24)26)19-9-10-22-15-23-19)25-11-5-8-17(14-25)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,15,17H,5,8,11,14H2,1H3.
What are the key properties of 1-methyl-6-(3-phenylpiperidin-1-yl)-4-pyrimidin-4-ylpyridin-2-one?
1-methyl-6-(3-phenylpiperidin-1-yl)-4-pyrimidin-4-ylpyridin-2-one has a molecular weight of 346.43 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(3-phenylpiperidin-1-yl)-4-pyrimidin-4-ylpyridin-2-one is sourced from PubChem (CID 53318413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).