2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C25H29N5O2 — CID 59576981

IUPAC2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCCN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C25H29N5O2/c1-3-30(25-27-22(17-23(31)28(25)2)20-11-13-26-14-12-20)21-10-7-15-29(18-21)24(32)16-19-8-5-4-6-9-19/h4-6,8-9,11-14,17,21H,3,7,10,15-16,18H2,1-2H3
InChIKeyFSLUSCZBHKIYJG-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.90
Rot. Bonds6

About 2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 59576981) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID59576981
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCCN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C25H29N5O2/c1-3-30(25-27-22(17-23(31)28(25)2)20-11-13-26-14-12-20)21-10-7-15-29(18-21)24(32)16-19-8-5-4-6-9-19/h4-6,8-9,11-14,17,21H,3,7,10,15-16,18H2,1-2H3
InChIKeyFSLUSCZBHKIYJG-UHFFFAOYSA-N
XLogP2.90
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one with MolForge

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Related Compounds

2-[ethyl-[1-(2-phenylacetyl)azepan-4-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59576895
2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59576918
2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 24798111
(2S)-2-[[ethyl-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylic acid
CID 67427006
2-phenyl-1-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 53192244
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
CID 174895598
2-[[(5R)-1-benzyl-3a-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-5-yl]-methylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 24798109
2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136820909
N-cycloheptyl-N-methyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607775
1-[(4S)-4-(dimethylamino)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 95724805
3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one
CID 25002829

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 59576981) is 2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is CCN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is FSLUSCZBHKIYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-3-30(25-27-22(17-23(31)28(25)2)20-11-13-26-14-12-20)21-10-7-15-29(18-21)24(32)16-19-8-5-4-6-9-19/h4-6,8-9,11-14,17,21H,3,7,10,15-16,18H2,1-2H3.
What are the key properties of 2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 431.54 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 59576981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).