(5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

C23H29N5O4 — CID 136896760

IUPAC(5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)cc1
InChIInChI=1S/C23H29N5O4/c1-4-32-16-10-8-15(9-11-16)24-21(30)17-12-18(29)25-20-19(17)22(31)27-23(26-20)28-13(2)6-5-7-14(28)3/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,24,30)(H2,25,26,27,29,31)/t13-,14-,17-/m0/s1
InChIKeyLAKMPXNONCXLGI-ZQIUZPCESA-N
MW439.52 g/mol
LogP3.00
Rot. Bonds5

About (5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

(5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 136896760) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is (5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID136896760
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Name(5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)cc1
InChIInChI=1S/C23H29N5O4/c1-4-32-16-10-8-15(9-11-16)24-21(30)17-12-18(29)25-20-19(17)22(31)27-23(26-20)28-13(2)6-5-7-14(28)3/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,24,30)(H2,25,26,27,29,31)/t13-,14-,17-/m0/s1
InChIKeyLAKMPXNONCXLGI-ZQIUZPCESA-N
XLogP3.00
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

(5R)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136896757
(5R)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136896731
N-(3,4-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135993950
(5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875608
N-(2-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994105
(5S)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135960177
(5R)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-N-(3-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137101832
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
(5R)-N-(4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875586
(5S)-N-(4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875596
(5R)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028006
ethyl 1-[(5S)-5-[(4-fluorophenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 135895063

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 136896760) is (5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)cc1.
What is the InChIKey of (5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LAKMPXNONCXLGI-ZQIUZPCESA-N. The full InChI is InChI=1S/C23H29N5O4/c1-4-32-16-10-8-15(9-11-16)24-21(30)17-12-18(29)25-20-19(17)22(31)27-23(26-20)28-13(2)6-5-7-14(28)3/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,24,30)(H2,25,26,27,29,31)/t13-,14-,17-/m0/s1.
What are the key properties of (5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
(5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 136896760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).