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

C20H28N4O4 — CID 175707992

IUPAC4-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
SMILESCOc1nccc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C2CCCC2)c1C(N)=O
InChIInChI=1S/C20H28N4O4/c1-12-7-8-15(13-5-3-4-6-13)24(11-12)20(27)18(26)23-14-9-10-22-19(28-2)16(14)17(21)25/h9-10,12-13,15H,3-8,11H2,1-2H3,(H2,21,25)(H,22,23,26)/t12-,15-/m1/s1
InChIKeyMMLZIIQIYCYJJS-IUODEOHRSA-N
MW388.47 g/mol
LogP1.94
Rot. Bonds4

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

4-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide (PubChem CID 175707992) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
PubChem CID175707992
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name4-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
SMILESCOc1nccc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C2CCCC2)c1C(N)=O
InChIInChI=1S/C20H28N4O4/c1-12-7-8-15(13-5-3-4-6-13)24(11-12)20(27)18(26)23-14-9-10-22-19(28-2)16(14)17(21)25/h9-10,12-13,15H,3-8,11H2,1-2H3,(H2,21,25)(H,22,23,26)/t12-,15-/m1/s1
InChIKeyMMLZIIQIYCYJJS-IUODEOHRSA-N
XLogP1.94
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 4-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide (CID 175707992) is 4-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 4-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide is COc1nccc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C2CCCC2)c1C(N)=O.
What is the InChIKey of 4-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
The InChIKey is MMLZIIQIYCYJJS-IUODEOHRSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-12-7-8-15(13-5-3-4-6-13)24(11-12)20(27)18(26)23-14-9-10-22-19(28-2)16(14)17(21)25/h9-10,12-13,15H,3-8,11H2,1-2H3,(H2,21,25)(H,22,23,26)/t12-,15-/m1/s1.
What are the key properties of 4-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
4-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 175707992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).