ethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide

C19H25N3O — CID 176969995

IUPACethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide
SMILESCC.O=C(N[C@H]1CNC[C@@H](c2ccccc2)C1)c1ccccn1
InChIInChI=1S/C17H19N3O.C2H6/c21-17(16-8-4-5-9-19-16)20-15-10-14(11-18-12-15)13-6-2-1-3-7-13;1-2/h1-9,14-15,18H,10-12H2,(H,20,21);1-2H3/t14-,15+;/m0./s1
InChIKeyOADYLRFKXGAJBZ-LDXVYITESA-N
MW311.43 g/mol
LogP2.98
Rot. Bonds3

About ethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide

ethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide (PubChem CID 176969995) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is ethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide
PubChem CID176969995
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Nameethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide
SMILESCC.O=C(N[C@H]1CNC[C@@H](c2ccccc2)C1)c1ccccn1
InChIInChI=1S/C17H19N3O.C2H6/c21-17(16-8-4-5-9-19-16)20-15-10-14(11-18-12-15)13-6-2-1-3-7-13;1-2/h1-9,14-15,18H,10-12H2,(H,20,21);1-2H3/t14-,15+;/m0./s1
InChIKeyOADYLRFKXGAJBZ-LDXVYITESA-N
XLogP2.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate
CID 170979733
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
2-fluoro-N-(5-phenylpiperidin-3-yl)acetamide
CID 174528127
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide
CID 102340847
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 62492174
N-(3-cyclopropylcyclohexyl)pyridine-2-carboxamide
CID 171511790
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-2-carboxamide
CID 6927601
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of ethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide (CID 176969995) is ethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for ethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for ethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide is CC.O=C(N[C@H]1CNC[C@@H](c2ccccc2)C1)c1ccccn1.
What is the InChIKey of ethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide?
The InChIKey is OADYLRFKXGAJBZ-LDXVYITESA-N. The full InChI is InChI=1S/C17H19N3O.C2H6/c21-17(16-8-4-5-9-19-16)20-15-10-14(11-18-12-15)13-6-2-1-3-7-13;1-2/h1-9,14-15,18H,10-12H2,(H,20,21);1-2H3/t14-,15+;/m0./s1.
What are the key properties of ethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide?
ethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 176969995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).