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

C15H12Cl2N6O4 — CID 136876224

IUPAC(5S)-N-carbamoyl-2-(3,5-dichloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESNC(=O)NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21
InChIInChI=1S/C15H12Cl2N6O4/c16-5-1-6(17)3-7(2-5)19-15-21-11-10(13(26)23-15)8(4-9(24)20-11)12(25)22-14(18)27/h1-3,8H,4H2,(H3,18,22,25,27)(H3,19,20,21,23,24,26)/t8-/m0/s1
InChIKeyAXPOHMZFEIQHPW-QMMMGPOBSA-N
MW411.21 g/mol
LogP1.44
Rot. Bonds3

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

(5S)-N-carbamoyl-2-(3,5-dichloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 136876224) has the molecular formula C15H12Cl2N6O4 and a molecular weight of 411.21 g/mol. Its IUPAC name is (5S)-N-carbamoyl-2-(3,5-dichloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-carbamoyl-2-(3,5-dichloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID136876224
Molecular FormulaC15H12Cl2N6O4
Molecular Weight411.21 g/mol
Exact Mass410.03
IUPAC Name(5S)-N-carbamoyl-2-(3,5-dichloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESNC(=O)NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21
InChIInChI=1S/C15H12Cl2N6O4/c16-5-1-6(17)3-7(2-5)19-15-21-11-10(13(26)23-15)8(4-9(24)20-11)12(25)22-14(18)27/h1-3,8H,4H2,(H3,18,22,25,27)(H3,19,20,21,23,24,26)/t8-/m0/s1
InChIKeyAXPOHMZFEIQHPW-QMMMGPOBSA-N
XLogP1.44
TPSA159.07 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.21
LogP ≤ 51.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-N-carbamoyl-2-(3-chloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876149
(5R)-N-carbamoyl-2-(4-chloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876051
(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-(3,5-dichloroanilino)-N-(4-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876155
(5S)-2-(4-chloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876052
(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)-2-(4-chloroanilino)-N-(3-chlorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875923
(5R)-2-(4-chloroanilino)-N-(3-chlorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875922
(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)-2-(3-chloroanilino)-N-(2,4-dichlorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876105
(5R)-2-(4-chloroanilino)-N-(4-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875878
(5R)-2-(2,4-dichloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876303

Frequently Asked Questions

What is the IUPAC name of (5S)-N-carbamoyl-2-(3,5-dichloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5S)-N-carbamoyl-2-(3,5-dichloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 136876224) is (5S)-N-carbamoyl-2-(3,5-dichloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5S)-N-carbamoyl-2-(3,5-dichloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5S)-N-carbamoyl-2-(3,5-dichloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is NC(=O)NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21.
What is the InChIKey of (5S)-N-carbamoyl-2-(3,5-dichloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is AXPOHMZFEIQHPW-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H12Cl2N6O4/c16-5-1-6(17)3-7(2-5)19-15-21-11-10(13(26)23-15)8(4-9(24)20-11)12(25)22-14(18)27/h1-3,8H,4H2,(H3,18,22,25,27)(H3,19,20,21,23,24,26)/t8-/m0/s1.
What are the key properties of (5S)-N-carbamoyl-2-(3,5-dichloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
(5S)-N-carbamoyl-2-(3,5-dichloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 411.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-carbamoyl-2-(3,5-dichloroanilino)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 136876224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).