5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen

C19H28N4O4 — CID 167598546

IUPAC5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen
SMILESCOc1ncc(NC(=O)C(=O)N2CCCC[C@H]2C2CCCC2)cc1C(N)=O.[H][H]
InChIInChI=1S/C19H26N4O4.H2/c1-27-18-14(16(20)24)10-13(11-21-18)22-17(25)19(26)23-9-5-4-8-15(23)12-6-2-3-7-12;/h10-12,15H,2-9H2,1H3,(H2,20,24)(H,22,25);1H/t15-;/m0./s1
InChIKeyJKFAZQOTBCBZJM-RSAXXLAASA-N
MW376.46 g/mol
LogP1.94
Rot. Bonds4

About 5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen

5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen (PubChem CID 167598546) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen
PubChem CID167598546
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen
SMILESCOc1ncc(NC(=O)C(=O)N2CCCC[C@H]2C2CCCC2)cc1C(N)=O.[H][H]
InChIInChI=1S/C19H26N4O4.H2/c1-27-18-14(16(20)24)10-13(11-21-18)22-17(25)19(26)23-9-5-4-8-15(23)12-6-2-3-7-12;/h10-12,15H,2-9H2,1H3,(H2,20,24)(H,22,25);1H/t15-;/m0./s1
InChIKeyJKFAZQOTBCBZJM-RSAXXLAASA-N
XLogP1.94
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
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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Related Compounds

5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen
CID 167600347
5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164753557
2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033457
2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane
CID 165051710
5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164752609
5-[[2-[(2S)-2-[2-[2-(dimethylamino)ethyl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 167033076
tert-butyl N-[5-[[2-(2-cyclohexylpiperidin-1-yl)-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164752750
5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164750422
2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide
CID 119897971
2-methoxy-5-[[2-[(5S)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167034018
5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164752908
5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750078

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of 5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen (CID 167598546) is 5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for 5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen is COc1ncc(NC(=O)C(=O)N2CCCC[C@H]2C2CCCC2)cc1C(N)=O.[H][H].
What is the InChIKey of 5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen?
The InChIKey is JKFAZQOTBCBZJM-RSAXXLAASA-N. The full InChI is InChI=1S/C19H26N4O4.H2/c1-27-18-14(16(20)24)10-13(11-21-18)22-17(25)19(26)23-9-5-4-8-15(23)12-6-2-3-7-12;/h10-12,15H,2-9H2,1H3,(H2,20,24)(H,22,25);1H/t15-;/m0./s1.
What are the key properties of 5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen?
5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen has a molecular weight of 376.46 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 5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 167598546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).