N-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide

C18H20N2O2 — CID 95322395

IUPACN-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)C1CCCC1)c1cccc[n+]1[O-]
InChIInChI=1S/C18H20N2O2/c21-18(16-12-6-7-13-20(16)22)19-17(15-10-4-5-11-15)14-8-2-1-3-9-14/h1-3,6-9,12-13,15,17H,4-5,10-11H2,(H,19,21)/t17-/m0/s1
InChIKeyMDRZMNQYGRRCCA-KRWDZBQOSA-N
MW296.37 g/mol
LogP2.98
Rot. Bonds4

About N-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide

N-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide (PubChem CID 95322395) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
PubChem CID95322395
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)C1CCCC1)c1cccc[n+]1[O-]
InChIInChI=1S/C18H20N2O2/c21-18(16-12-6-7-13-20(16)22)19-17(15-10-4-5-11-15)14-8-2-1-3-9-14/h1-3,6-9,12-13,15,17H,4-5,10-11H2,(H,19,21)/t17-/m0/s1
InChIKeyMDRZMNQYGRRCCA-KRWDZBQOSA-N
XLogP2.98
TPSA56.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 75363643
2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide
CID 985964
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672939
(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide
CID 7447883
N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55690038
N'-[cyclopentyl(phenyl)methyl]benzohydrazide
CID 54339483
2-[[(S)-cyclohexyl(phenyl)methyl]carbamoylamino]propanediamide
CID 94187456
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 51295877
N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide
CID 167890511

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide?
The IUPAC name of N-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide (CID 95322395) is N-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide.
What is the SMILES notation for N-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide?
The canonical SMILES for N-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide is O=C(N[C@@H](c1ccccc1)C1CCCC1)c1cccc[n+]1[O-].
What is the InChIKey of N-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide?
The InChIKey is MDRZMNQYGRRCCA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(16-12-6-7-13-20(16)22)19-17(15-10-4-5-11-15)14-8-2-1-3-9-14/h1-3,6-9,12-13,15,17H,4-5,10-11H2,(H,19,21)/t17-/m0/s1.
What are the key properties of N-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide?
N-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide is sourced from PubChem (CID 95322395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).