6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one

C20H21N5O2 — CID 5330285

IUPAC6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccccn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C20H21N5O2/c1-12-15-11-22-20(23-16-9-5-6-10-21-16)24-18(15)25(14-7-3-4-8-14)19(27)17(12)13(2)26/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,21,22,23,24)
InChIKeyWNTYNFHZYYRFOF-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.56
Rot. Bonds4

About 6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330285) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330285
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccccn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C20H21N5O2/c1-12-15-11-22-20(23-16-9-5-6-10-21-16)24-18(15)25(14-7-3-4-8-14)19(27)17(12)13(2)26/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,21,22,23,24)
InChIKeyWNTYNFHZYYRFOF-UHFFFAOYSA-N
XLogP3.56
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 5330285) is 6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccccn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WNTYNFHZYYRFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-12-15-11-22-20(23-16-9-5-6-10-21-16)24-18(15)25(14-7-3-4-8-14)19(27)17(12)13(2)26/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,21,22,23,24).
What are the key properties of 6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 363.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).