(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

C23H29N5O3 — CID 137028006

IUPAC(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
SMILESCC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[nH]c(=O)c32)cc1
InChIInChI=1S/C23H29N5O3/c1-13(2)15-7-9-16(10-8-15)24-21(30)17-12-18(29)25-20-19(17)22(31)27-23(26-20)28-11-5-4-6-14(28)3/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H,24,30)(H2,25,26,27,29,31)/t14-,17-/m1/s1
InChIKeyFIPMOWCVNGAYCI-RHSMWYFYSA-N
MW423.52 g/mol
LogP3.34
Rot. Bonds4

About (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

(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 (PubChem CID 137028006) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID137028006
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name(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
SMILESCC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[nH]c(=O)c32)cc1
InChIInChI=1S/C23H29N5O3/c1-13(2)15-7-9-16(10-8-15)24-21(30)17-12-18(29)25-20-19(17)22(31)27-23(26-20)28-11-5-4-6-14(28)3/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H,24,30)(H2,25,26,27,29,31)/t14-,17-/m1/s1
InChIKeyFIPMOWCVNGAYCI-RHSMWYFYSA-N
XLogP3.34
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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)-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-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875608
(5S)-N-(3,5-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875674
(5R)-N-(3-chloro-4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028055
(5S)-N-(3-chlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875619
(5R)-N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028029
(5S)-N-(2,4-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875696
(5R)-N-(4-chlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028078
(5S)-N-(2-fluorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875653
ethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 135895061
2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135993984

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[nH]c(=O)c32)cc1.
What is the InChIKey of (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?
The InChIKey is FIPMOWCVNGAYCI-RHSMWYFYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-13(2)15-7-9-16(10-8-15)24-21(30)17-12-18(29)25-20-19(17)22(31)27-23(26-20)28-11-5-4-6-14(28)3/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H,24,30)(H2,25,26,27,29,31)/t14-,17-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 423.52 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 137028006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).