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

C22H19Cl2N5O3 — CID 136876170

IUPAC(5R)-2-(3,5-dichloroanilino)-N-(2-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21
InChIInChI=1S/C22H19Cl2N5O3/c1-2-11-5-3-4-6-16(11)26-20(31)15-10-17(30)27-19-18(15)21(32)29-22(28-19)25-14-8-12(23)7-13(24)9-14/h3-9,15H,2,10H2,1H3,(H,26,31)(H3,25,27,28,29,30,32)/t15-/m1/s1
InChIKeyHQHWFQBLOLGHGX-OAHLLOKOSA-N
MW472.33 g/mol
LogP4.45
Rot. Bonds5

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

(5R)-2-(3,5-dichloroanilino)-N-(2-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 136876170) has the molecular formula C22H19Cl2N5O3 and a molecular weight of 472.33 g/mol. Its IUPAC name is (5R)-2-(3,5-dichloroanilino)-N-(2-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-2-(3,5-dichloroanilino)-N-(2-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID136876170
Molecular FormulaC22H19Cl2N5O3
Molecular Weight472.33 g/mol
Exact Mass471.09
IUPAC Name(5R)-2-(3,5-dichloroanilino)-N-(2-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21
InChIInChI=1S/C22H19Cl2N5O3/c1-2-11-5-3-4-6-16(11)26-20(31)15-10-17(30)27-19-18(15)21(32)29-22(28-19)25-14-8-12(23)7-13(24)9-14/h3-9,15H,2,10H2,1H3,(H,26,31)(H3,25,27,28,29,30,32)/t15-/m1/s1
InChIKeyHQHWFQBLOLGHGX-OAHLLOKOSA-N
XLogP4.45
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.33
LogP ≤ 54.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-2-(4-chloroanilino)-N-(2-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875984
(5S)-2-(3,5-dichloroanilino)-N-(2-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876175
(5R)-N-(2-ethylphenyl)-2-(2-methoxyanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876522
(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
(5R)-2-anilino-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875950
2-anilino-N-(2,3-dichlorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994419
(5R)-N-(2-ethylphenyl)-2-methylsulfanyl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136884875
(5S)-N-carbamoyl-2-(3,5-dichloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876224
2-(3-chloroanilino)-N-(2-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994787
N-(2-ethylphenyl)-2-ethylsulfanyl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135986551
(5S)-2-(3-chloroanilino)-4,7-dioxo-N-(2-phenylsulfanylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876089

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(3,5-dichloroanilino)-N-(2-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5R)-2-(3,5-dichloroanilino)-N-(2-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 136876170) is (5R)-2-(3,5-dichloroanilino)-N-(2-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5R)-2-(3,5-dichloroanilino)-N-(2-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5R)-2-(3,5-dichloroanilino)-N-(2-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21.
What is the InChIKey of (5R)-2-(3,5-dichloroanilino)-N-(2-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is HQHWFQBLOLGHGX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19Cl2N5O3/c1-2-11-5-3-4-6-16(11)26-20(31)15-10-17(30)27-19-18(15)21(32)29-22(28-19)25-14-8-12(23)7-13(24)9-14/h3-9,15H,2,10H2,1H3,(H,26,31)(H3,25,27,28,29,30,32)/t15-/m1/s1.
What are the key properties of (5R)-2-(3,5-dichloroanilino)-N-(2-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
(5R)-2-(3,5-dichloroanilino)-N-(2-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 472.33 g/mol, XLogP of 4.45, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(3,5-dichloroanilino)-N-(2-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 136876170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).