2-anilino-8-(cyclohexylmethyl)pyrido[2,3-d]pyrimidin-7-one

C20H22N4O — CID 5330236

IUPAC2-anilino-8-(cyclohexylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1CC1CCCCC1
InChIInChI=1S/C20H22N4O/c25-18-12-11-16-13-21-20(22-17-9-5-2-6-10-17)23-19(16)24(18)14-15-7-3-1-4-8-15/h2,5-6,9-13,15H,1,3-4,7-8,14H2,(H,21,22,23)
InChIKeyWNWKONPFGBOCGT-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.12
Rot. Bonds4

About 2-anilino-8-(cyclohexylmethyl)pyrido[2,3-d]pyrimidin-7-one

2-anilino-8-(cyclohexylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330236) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-anilino-8-(cyclohexylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-(cyclohexylmethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330236
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-anilino-8-(cyclohexylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1CC1CCCCC1
InChIInChI=1S/C20H22N4O/c25-18-12-11-16-13-21-20(22-17-9-5-2-6-10-17)23-19(16)24(18)14-15-7-3-1-4-8-15/h2,5-6,9-13,15H,1,3-4,7-8,14H2,(H,21,22,23)
InChIKeyWNWKONPFGBOCGT-UHFFFAOYSA-N
XLogP4.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-(cyclohexylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-(cyclohexylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 5330236) is 2-anilino-8-(cyclohexylmethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-(cyclohexylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-(cyclohexylmethyl)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccccc3)nc2n1CC1CCCCC1.
What is the InChIKey of 2-anilino-8-(cyclohexylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WNWKONPFGBOCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-18-12-11-16-13-21-20(22-17-9-5-2-6-10-17)23-19(16)24(18)14-15-7-3-1-4-8-15/h2,5-6,9-13,15H,1,3-4,7-8,14H2,(H,21,22,23).
What are the key properties of 2-anilino-8-(cyclohexylmethyl)pyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-(cyclohexylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 334.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-(cyclohexylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).