(5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

C21H25N5O4 — CID 136875608

IUPAC(5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[nH]c(=O)c32)cc1
InChIInChI=1S/C21H25N5O4/c1-12-5-3-4-10-26(12)21-24-18-17(20(29)25-21)15(11-16(27)23-18)19(28)22-13-6-8-14(30-2)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,22,28)(H2,23,24,25,27,29)/t12-,15+/m1/s1
InChIKeyKCEQKQMJBKZOIP-DOMZBBRYSA-N
MW411.46 g/mol
LogP2.22
Rot. Bonds4

About (5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

(5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 136875608) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is (5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID136875608
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name(5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[nH]c(=O)c32)cc1
InChIInChI=1S/C21H25N5O4/c1-12-5-3-4-10-26(12)21-24-18-17(20(29)25-21)15(11-16(27)23-18)19(28)22-13-6-8-14(30-2)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,22,28)(H2,23,24,25,27,29)/t12-,15+/m1/s1
InChIKeyKCEQKQMJBKZOIP-DOMZBBRYSA-N
XLogP2.22
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide 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

(5S)-N-(4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875596
(5R)-N-(4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875586
(5R)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028006
(5S)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135960177
(5S)-N-(3,5-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875674
(5R)-N-(3-chloro-4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028055
(5R)-N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028029
(5S)-N-(3-chlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875619
(5S)-N-(2-fluorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875653
(5S)-N-(2,4-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875696
(5R)-N-(4-chlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028078
(5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136896760

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 136875608) is (5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[nH]c(=O)c32)cc1.
What is the InChIKey of (5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is KCEQKQMJBKZOIP-DOMZBBRYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-12-5-3-4-10-26(12)21-24-18-17(20(29)25-21)15(11-16(27)23-18)19(28)22-13-6-8-14(30-2)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,22,28)(H2,23,24,25,27,29)/t12-,15+/m1/s1.
What are the key properties of (5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
(5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 136875608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).