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

C21H23Cl2N5O3 — CID 137028164

IUPAC(5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N2
InChIInChI=1S/C21H23Cl2N5O3/c1-2-12-5-3-4-8-28(12)21-26-18-17(20(31)27-21)13(10-16(29)25-18)19(30)24-15-9-11(22)6-7-14(15)23/h6-7,9,12-13H,2-5,8,10H2,1H3,(H,24,30)(H2,25,26,27,29,31)/t12-,13+/m0/s1
InChIKeyDMZIAKGQXBZFOD-QWHCGFSZSA-N
MW464.35 g/mol
LogP3.91
Rot. Bonds4

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

(5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137028164) has the molecular formula C21H23Cl2N5O3 and a molecular weight of 464.35 g/mol. Its IUPAC name is (5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID137028164
Molecular FormulaC21H23Cl2N5O3
Molecular Weight464.35 g/mol
Exact Mass463.12
IUPAC Name(5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N2
InChIInChI=1S/C21H23Cl2N5O3/c1-2-12-5-3-4-8-28(12)21-26-18-17(20(31)27-21)13(10-16(29)25-18)19(30)24-15-9-11(22)6-7-14(15)23/h6-7,9,12-13H,2-5,8,10H2,1H3,(H,24,30)(H2,25,26,27,29,31)/t12-,13+/m0/s1
InChIKeyDMZIAKGQXBZFOD-QWHCGFSZSA-N
XLogP3.91
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.35
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-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

N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994670
(5R)-N-(2-chlorophenyl)-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028126
(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)-N-(2,3-dichlorophenyl)-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875808
(5R)-N-(3-chlorophenyl)-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028099
(5R)-N-(2,5-dimethylphenyl)-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028153
N-(2-ethylphenyl)-2-(2-ethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994606
(5R)-N-(2,5-dichlorophenyl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135886007
(5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875758
(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)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028128
(5R)-N-ethyl-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028123

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 137028164) is (5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N2.
What is the InChIKey of (5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is DMZIAKGQXBZFOD-QWHCGFSZSA-N. The full InChI is InChI=1S/C21H23Cl2N5O3/c1-2-12-5-3-4-8-28(12)21-26-18-17(20(31)27-21)13(10-16(29)25-18)19(30)24-15-9-11(22)6-7-14(15)23/h6-7,9,12-13H,2-5,8,10H2,1H3,(H,24,30)(H2,25,26,27,29,31)/t12-,13+/m0/s1.
What are the key properties of (5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
(5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 464.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137028164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).