4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide

C21H30N4O4 — CID 175708028

IUPAC4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
SMILESCOc1nccc(NC(=O)C(=O)N2C[C@@H](C)CC[C@H]2C2CCCCC2)c1C(N)=O
InChIInChI=1S/C21H30N4O4/c1-13-8-9-16(14-6-4-3-5-7-14)25(12-13)21(28)19(27)24-15-10-11-23-20(29-2)17(15)18(22)26/h10-11,13-14,16H,3-9,12H2,1-2H3,(H2,22,26)(H,23,24,27)/t13-,16-/m0/s1
InChIKeyHTNSHCIIFXISHV-BBRMVZONSA-N
MW402.50 g/mol
LogP2.34
Rot. Bonds4

About 4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide

4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide (PubChem CID 175708028) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
PubChem CID175708028
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Name4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
SMILESCOc1nccc(NC(=O)C(=O)N2C[C@@H](C)CC[C@H]2C2CCCCC2)c1C(N)=O
InChIInChI=1S/C21H30N4O4/c1-13-8-9-16(14-6-4-3-5-7-14)25(12-13)21(28)19(27)24-15-10-11-23-20(29-2)17(15)18(22)26/h10-11,13-14,16H,3-9,12H2,1-2H3,(H2,22,26)(H,23,24,27)/t13-,16-/m0/s1
InChIKeyHTNSHCIIFXISHV-BBRMVZONSA-N
XLogP2.34
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide (CID 175708028) is 4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide is COc1nccc(NC(=O)C(=O)N2C[C@@H](C)CC[C@H]2C2CCCCC2)c1C(N)=O.
What is the InChIKey of 4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
The InChIKey is HTNSHCIIFXISHV-BBRMVZONSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-13-8-9-16(14-6-4-3-5-7-14)25(12-13)21(28)19(27)24-15-10-11-23-20(29-2)17(15)18(22)26/h10-11,13-14,16H,3-9,12H2,1-2H3,(H2,22,26)(H,23,24,27)/t13-,16-/m0/s1.
What are the key properties of 4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2S,5S)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 175708028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).