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

C25H29N5O4 — CID 17251348

IUPACN-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
SMILESCc1cc(C(=O)N2CCCC2)c2c(=O)n(CC(=O)NC(C)(C)C)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C25H29N5O4/c1-16-14-18(22(32)28-12-8-9-13-28)20-21(26-16)30(17-10-6-5-7-11-17)24(34)29(23(20)33)15-19(31)27-25(2,3)4/h5-7,10-11,14H,8-9,12-13,15H2,1-4H3,(H,27,31)
InChIKeyTZUPEYAIBJRLLE-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.01
Rot. Bonds4

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

N-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 17251348) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID17251348
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC NameN-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
SMILESCc1cc(C(=O)N2CCCC2)c2c(=O)n(CC(=O)NC(C)(C)C)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C25H29N5O4/c1-16-14-18(22(32)28-12-8-9-13-28)20-21(26-16)30(17-10-6-5-7-11-17)24(34)29(23(20)33)15-19(31)27-25(2,3)4/h5-7,10-11,14H,8-9,12-13,15H2,1-4H3,(H,27,31)
InChIKeyTZUPEYAIBJRLLE-UHFFFAOYSA-N
XLogP2.01
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 53096954
N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 53096937
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-anilino-2-oxoethyl)-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250645
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
N-(2-chlorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 17250505
methyl 3-[2-(4-acetylanilino)-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250558

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of 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) is N-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide is Cc1cc(C(=O)N2CCCC2)c2c(=O)n(CC(=O)NC(C)(C)C)c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of N-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is TZUPEYAIBJRLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-16-14-18(22(32)28-12-8-9-13-28)20-21(26-16)30(17-10-6-5-7-11-17)24(34)29(23(20)33)15-19(31)27-25(2,3)4/h5-7,10-11,14H,8-9,12-13,15H2,1-4H3,(H,27,31).
What are the key properties of N-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
N-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 463.54 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 17251348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).