8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C20H24N4O — CID 53193832

IUPAC8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(-c2cccnc2)nc2c1CCC(=O)N2CC1CCCCC1
InChIInChI=1S/C20H24N4O/c1-14-17-9-10-18(25)24(13-15-6-3-2-4-7-15)20(17)23-19(22-14)16-8-5-11-21-12-16/h5,8,11-12,15H,2-4,6-7,9-10,13H2,1H3
InChIKeyAVKSTPQQBAFGMO-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.71
Rot. Bonds3

About 8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 53193832) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID53193832
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(-c2cccnc2)nc2c1CCC(=O)N2CC1CCCCC1
InChIInChI=1S/C20H24N4O/c1-14-17-9-10-18(25)24(13-15-6-3-2-4-7-15)20(17)23-19(22-14)16-8-5-11-21-12-16/h5,8,11-12,15H,2-4,6-7,9-10,13H2,1H3
InChIKeyAVKSTPQQBAFGMO-UHFFFAOYSA-N
XLogP3.71
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268560
4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 53193780
8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95111905
8-(cyclohexylmethyl)-4-methyl-2-[(3S)-1-(1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124978079
8-(cyclohexylmethyl)-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630934
8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630536
8-(cyclohexylmethyl)-2-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127252287
2-[(2R)-1-cyclopentylpiperidin-2-yl]-8-(cyclopropylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629990
8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249369
4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine
CID 67453486
N-[[8-(cyclopropylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 92619761

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 53193832) is 8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(-c2cccnc2)nc2c1CCC(=O)N2CC1CCCCC1.
What is the InChIKey of 8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AVKSTPQQBAFGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-17-9-10-18(25)24(13-15-6-3-2-4-7-15)20(17)23-19(22-14)16-8-5-11-21-12-16/h5,8,11-12,15H,2-4,6-7,9-10,13H2,1H3.
What are the key properties of 8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 336.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 53193832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).