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

C22H27N5O4 — CID 136875564

IUPAC(5R)-N-(2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[nH]c(=O)c21
InChIInChI=1S/C22H27N5O4/c1-12-6-7-16(31-3)15(9-12)23-20(29)14-10-17(28)24-19-18(14)21(30)26-22(25-19)27-8-4-5-13(2)11-27/h6-7,9,13-14H,4-5,8,10-11H2,1-3H3,(H,23,29)(H2,24,25,26,28,30)/t13-,14+/m0/s1
InChIKeyGDPLMALTWYNNLQ-UONOGXRCSA-N
MW425.49 g/mol
LogP2.39
Rot. Bonds4

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

(5R)-N-(2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 136875564) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is (5R)-N-(2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID136875564
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name(5R)-N-(2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[nH]c(=O)c21
InChIInChI=1S/C22H27N5O4/c1-12-6-7-16(31-3)15(9-12)23-20(29)14-10-17(28)24-19-18(14)21(30)26-22(25-19)27-8-4-5-13(2)11-27/h6-7,9,13-14H,4-5,8,10-11H2,1-3H3,(H,23,29)(H2,24,25,26,28,30)/t13-,14+/m0/s1
InChIKeyGDPLMALTWYNNLQ-UONOGXRCSA-N
XLogP2.39
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994713
2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994693
(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)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875438
N-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994462
(5S)-N-(3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875495
(5S)-N-(3-methylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136742710
(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
ethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate
CID 135994098
(5S)-N-(2-chlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875523
(5S)-N-(3-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875573
(5S)-N-(2,3-dichlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875570

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5R)-N-(2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 136875564) is (5R)-N-(2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-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-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5R)-N-(2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[nH]c(=O)c21.
What is the InChIKey of (5R)-N-(2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is GDPLMALTWYNNLQ-UONOGXRCSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-12-6-7-16(31-3)15(9-12)23-20(29)14-10-17(28)24-19-18(14)21(30)26-22(25-19)27-8-4-5-13(2)11-27/h6-7,9,13-14H,4-5,8,10-11H2,1-3H3,(H,23,29)(H2,24,25,26,28,30)/t13-,14+/m0/s1.
What are the key properties of (5R)-N-(2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
(5R)-N-(2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 136875564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).