(5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

C22H19Cl2N5O4 — CID 136876175

IUPAC(5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21
InChIInChI=1S/C22H19Cl2N5O4/c1-2-33-16-6-4-3-5-15(16)26-20(31)14-10-17(30)27-19-18(14)21(32)29-22(28-19)25-13-8-11(23)7-12(24)9-13/h3-9,14H,2,10H2,1H3,(H,26,31)(H3,25,27,28,29,30,32)/t14-/m0/s1
InChIKeyVNUQNSDUICDAAV-AWEZNQCLSA-N
MW488.33 g/mol
LogP4.28
Rot. Bonds6

About (5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

(5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 136876175) has the molecular formula C22H19Cl2N5O4 and a molecular weight of 488.33 g/mol. Its IUPAC name is (5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID136876175
Molecular FormulaC22H19Cl2N5O4
Molecular Weight488.33 g/mol
Exact Mass487.08
IUPAC Name(5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21
InChIInChI=1S/C22H19Cl2N5O4/c1-2-33-16-6-4-3-5-15(16)26-20(31)14-10-17(30)27-19-18(14)21(32)29-22(28-19)25-13-8-11(23)7-12(24)9-13/h3-9,14H,2,10H2,1H3,(H,26,31)(H3,25,27,28,29,30,32)/t14-/m0/s1
InChIKeyVNUQNSDUICDAAV-AWEZNQCLSA-N
XLogP4.28
TPSA125.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.33
LogP ≤ 54.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-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

(5R)-2-(3,5-dichloroanilino)-N-(2-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876170
(5S)-N-(2-ethoxyphenyl)-2-(4-methoxyanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876427
(5S)-2-(3,5-dichloroanilino)-N-(4-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876155
N-(2-ethoxyphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994124
(5R)-2-(3-chloroanilino)-N-(2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876060
2-(4-chloroanilino)-N-(2-chlorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994423
(5S)-2-(4-chloroanilino)-N-(3,5-dichlorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876012
(5S)-2-(3-chloroanilino)-N-(5-chloro-2-methoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876139
(5S)-N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876554
N-(5-chloro-2-methylphenyl)-2-(2-methoxyanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994786
(5R)-N-(2-ethylphenyl)-2-(2-methoxyanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876522
(5S)-2-anilino-N-(2,4-dichlorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875928

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 136876175) is (5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21.
What is the InChIKey of (5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is VNUQNSDUICDAAV-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H19Cl2N5O4/c1-2-33-16-6-4-3-5-15(16)26-20(31)14-10-17(30)27-19-18(14)21(32)29-22(28-19)25-13-8-11(23)7-12(24)9-13/h3-9,14H,2,10H2,1H3,(H,26,31)(H3,25,27,28,29,30,32)/t14-/m0/s1.
What are the key properties of (5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
(5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 488.33 g/mol, XLogP of 4.28, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 136876175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).