8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C26H33N5O2 — CID 110268560

IUPAC8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCN(C(=O)c3cccnc3)C2)nc2c1CCC(=O)N2CC1CCCCC1
InChIInChI=1S/C26H33N5O2/c1-18-22-11-12-23(32)31(16-19-7-3-2-4-8-19)25(22)29-24(28-18)21-10-6-14-30(17-21)26(33)20-9-5-13-27-15-20/h5,9,13,15,19,21H,2-4,6-8,10-12,14,16-17H2,1H3
InChIKeyLXLNDWVWDJRQSA-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.06
Rot. Bonds4

About 8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110268560) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110268560
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCN(C(=O)c3cccnc3)C2)nc2c1CCC(=O)N2CC1CCCCC1
InChIInChI=1S/C26H33N5O2/c1-18-22-11-12-23(32)31(16-19-7-3-2-4-8-19)25(22)29-24(28-18)21-10-6-14-30(17-21)26(33)20-9-5-13-27-15-20/h5,9,13,15,19,21H,2-4,6-8,10-12,14,16-17H2,1H3
InChIKeyLXLNDWVWDJRQSA-UHFFFAOYSA-N
XLogP4.06
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3S)-3-[8-(cyclohexylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 92618743
N-[2-[(3R)-3-[8-(cyclohexylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 92618742
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)-2-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127252287
8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 125014355
8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95838071
N-[2-[(3R)-3-[8-(cyclopropylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 92630165
8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 53193832
8-(cyclopropylmethyl)-2-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95831238
8-(cyclopropylmethyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261023
8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110267500
8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261130

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110268560) is 8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCCN(C(=O)c3cccnc3)C2)nc2c1CCC(=O)N2CC1CCCCC1.
What is the InChIKey of 8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LXLNDWVWDJRQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-18-22-11-12-23(32)31(16-19-7-3-2-4-8-19)25(22)29-24(28-18)21-10-6-14-30(17-21)26(33)20-9-5-13-27-15-20/h5,9,13,15,19,21H,2-4,6-8,10-12,14,16-17H2,1H3.
What are the key properties of 8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 447.58 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110268560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).