8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile

C16H19N5O — CID 155458571

IUPAC8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC(C)Nc1ncc2cc(C#N)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C16H19N5O/c1-10(2)19-16-18-9-12-7-11(8-17)15(22)21(14(12)20-16)13-5-3-4-6-13/h7,9-10,13H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyADPRJQHSMYERCA-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.60
Rot. Bonds3

About 8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile

8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 155458571) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID155458571
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC(C)Nc1ncc2cc(C#N)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C16H19N5O/c1-10(2)19-16-18-9-12-7-11(8-17)15(22)21(14(12)20-16)13-5-3-4-6-13/h7,9-10,13H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyADPRJQHSMYERCA-UHFFFAOYSA-N
XLogP2.60
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-cyclopentyl-7-oxo-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458593
8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458968
2-(1,3-benzothiazol-2-ylamino)-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458382
8-cyclopentyl-2-[[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458866
8-cyclopentyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 167163071
8-cyclopentyl-2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458739
8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458377
8-cyclopentyl-7-oxo-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidine-6-carbonitrile;molecular hydrogen
CID 155572173
8-cyclopentyl-2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458581
8-cyclopentyl-7-oxo-2-[(2-oxo-1-piperidin-4-yl-4-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458454
8-cyclopentyl-2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine
CID 167674624
8-cyclopentyl-2-[[2-(1-methylpiperidin-4-yl)-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458828

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 155458571) is 8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile is CC(C)Nc1ncc2cc(C#N)c(=O)n(C3CCCC3)c2n1.
What is the InChIKey of 8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is ADPRJQHSMYERCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10(2)19-16-18-9-12-7-11(8-17)15(22)21(14(12)20-16)13-5-3-4-6-13/h7,9-10,13H,3-6H2,1-2H3,(H,18,19,20).
What are the key properties of 8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile?
8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 297.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 155458571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).