(5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

C21H23ClN6O4 — CID 135960340

IUPAC(5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c21
InChIInChI=1S/C21H23ClN6O4/c1-10-2-3-12(22)8-14(10)24-19(31)13-9-15(29)25-18-16(13)20(32)27-21(26-18)28-6-4-11(5-7-28)17(23)30/h2-3,8,11,13H,4-7,9H2,1H3,(H2,23,30)(H,24,31)(H2,25,26,27,29,32)/t13-/m1/s1
InChIKeyPYUPEWAEPBUJGU-CYBMUJFWSA-N
MW458.91 g/mol
LogP1.50
Rot. Bonds4

About (5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

(5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 135960340) has the molecular formula C21H23ClN6O4 and a molecular weight of 458.91 g/mol. Its IUPAC name is (5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID135960340
Molecular FormulaC21H23ClN6O4
Molecular Weight458.91 g/mol
Exact Mass458.15
IUPAC Name(5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c21
InChIInChI=1S/C21H23ClN6O4/c1-10-2-3-12(22)8-14(10)24-19(31)13-9-15(29)25-18-16(13)20(32)27-21(26-18)28-6-4-11(5-7-28)17(23)30/h2-3,8,11,13H,4-7,9H2,1H3,(H2,23,30)(H,24,31)(H2,25,26,27,29,32)/t13-/m1/s1
InChIKeyPYUPEWAEPBUJGU-CYBMUJFWSA-N
XLogP1.50
TPSA150.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.91
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

(5S)-2-(4-carbamoylpiperidin-1-yl)-N-(2-methyl-5-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135960345
(5S)-2-(4-carbamoylpiperidin-1-yl)-N-(3-chlorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135894903
(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)-N-(5-chloro-2-methoxyphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875855
(5S)-2-(4-carbamoylpiperidin-1-yl)-N-(4-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135960279
(5R)-2-anilino-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875950
(5S)-4-amino-N-(5-chloro-2-methylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29158757
(5S)-N-(2,5-dimethylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136742728
(5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136896660
(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
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
N-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135993991

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 135960340) is (5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c21.
What is the InChIKey of (5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is PYUPEWAEPBUJGU-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H23ClN6O4/c1-10-2-3-12(22)8-14(10)24-19(31)13-9-15(29)25-18-16(13)20(32)27-21(26-18)28-6-4-11(5-7-28)17(23)30/h2-3,8,11,13H,4-7,9H2,1H3,(H2,23,30)(H,24,31)(H2,25,26,27,29,32)/t13-/m1/s1.
What are the key properties of (5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
(5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 458.91 g/mol, XLogP of 1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-carbamoylpiperidin-1-yl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 135960340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).