N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide

C27H31N5O4 — CID 53096937

IUPACN-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
SMILESCc1cc(C(=O)N2CCCCC2)c2c(=O)n(CC(=O)NC3CCCC3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C27H31N5O4/c1-18-16-21(25(34)30-14-8-3-9-15-30)23-24(28-18)32(20-12-4-2-5-13-20)27(36)31(26(23)35)17-22(33)29-19-10-6-7-11-19/h2,4-5,12-13,16,19H,3,6-11,14-15,17H2,1H3,(H,29,33)
InChIKeyXDNVXYLTGAXFSO-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.54
Rot. Bonds5

About N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide

N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 53096937) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID53096937
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC NameN-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
SMILESCc1cc(C(=O)N2CCCCC2)c2c(=O)n(CC(=O)NC3CCCC3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C27H31N5O4/c1-18-16-21(25(34)30-14-8-3-9-15-30)23-24(28-18)32(20-12-4-2-5-13-20)27(36)31(26(23)35)17-22(33)29-19-10-6-7-11-19/h2,4-5,12-13,16,19H,3,6-11,14-15,17H2,1H3,(H,29,33)
InChIKeyXDNVXYLTGAXFSO-UHFFFAOYSA-N
XLogP2.54
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17251348
N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 53096954
7-methyl-3-[(4-methylphenyl)methyl]-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17251423
3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17251417
3-[(3-methoxyphenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 53096930
3-(2,1,3-benzoxadiazol-5-ylmethyl)-7-methyl-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17251342
methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 29057460
3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 53096944
methyl 3-[2-(2-fluoroanilino)-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250660
2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 25238788
N-(2-chlorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 17250505
azepan-1-yl-(3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 20927958

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide (CID 53096937) is N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide is Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(CC(=O)NC3CCCC3)c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is XDNVXYLTGAXFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-18-16-21(25(34)30-14-8-3-9-15-30)23-24(28-18)32(20-12-4-2-5-13-20)27(36)31(26(23)35)17-22(33)29-19-10-6-7-11-19/h2,4-5,12-13,16,19H,3,6-11,14-15,17H2,1H3,(H,29,33).
What are the key properties of N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 489.58 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 53096937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).