(5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

C22H26N6O5 — CID 137028175

IUPAC(5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)N2
InChIInChI=1S/C22H26N6O5/c1-3-13-6-4-5-9-27(13)22-25-19-18(21(31)26-22)15(11-17(29)24-19)20(30)23-16-8-7-14(28(32)33)10-12(16)2/h7-8,10,13,15H,3-6,9,11H2,1-2H3,(H,23,30)(H2,24,25,26,29,31)/t13-,15-/m1/s1
InChIKeyRFXPRQULWMLYNF-UKRRQHHQSA-N
MW454.49 g/mol
LogP2.82
Rot. Bonds5

About (5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

(5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137028175) has the molecular formula C22H26N6O5 and a molecular weight of 454.49 g/mol. Its IUPAC name is (5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID137028175
Molecular FormulaC22H26N6O5
Molecular Weight454.49 g/mol
Exact Mass454.20
IUPAC Name(5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)N2
InChIInChI=1S/C22H26N6O5/c1-3-13-6-4-5-9-27(13)22-25-19-18(21(31)26-22)15(11-17(29)24-19)20(30)23-16-8-7-14(28(32)33)10-12(16)2/h7-8,10,13,15H,3-6,9,11H2,1-2H3,(H,23,30)(H2,24,25,26,29,31)/t13-,15-/m1/s1
InChIKeyRFXPRQULWMLYNF-UKRRQHHQSA-N
XLogP2.82
TPSA150.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875745
(5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(3-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028105
(5S)-2-[(2S)-2-ethylpiperidin-1-yl]-N-(2-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875779
(5R)-N-(2,5-dimethylphenyl)-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028153
ethyl 1-[5-[(2-methyl-4-nitrophenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate
CID 135993928
(5S)-N-(2-methyl-4-nitrophenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875581
(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
(5R)-N-(2-chlorophenyl)-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028126
N-(2-ethylphenyl)-2-(2-ethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994606
(5S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136742696
(5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875758

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 137028175) is (5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)N2.
What is the InChIKey of (5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is RFXPRQULWMLYNF-UKRRQHHQSA-N. The full InChI is InChI=1S/C22H26N6O5/c1-3-13-6-4-5-9-27(13)22-25-19-18(21(31)26-22)15(11-17(29)24-19)20(30)23-16-8-7-14(28(32)33)10-12(16)2/h7-8,10,13,15H,3-6,9,11H2,1-2H3,(H,23,30)(H2,24,25,26,29,31)/t13-,15-/m1/s1.
What are the key properties of (5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
(5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137028175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).