N-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide

C24H25N2O4P — CID 102579935

IUPACN-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccn1
InChIInChI=1S/C24H25N2O4P/c27-24(22-16-9-10-18-25-22)26-21-15-7-8-17-23(21)31(28,29-19-11-3-1-4-12-19)30-20-13-5-2-6-14-20/h1-6,9-14,16,18,21,23H,7-8,15,17H2,(H,26,27)/t21-,23-/m0/s1
InChIKeyPJKYMRBWPAGHTH-GMAHTHKFSA-N
MW436.45 g/mol
LogP5.47
Rot. Bonds7

About N-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide

N-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide (PubChem CID 102579935) has the molecular formula C24H25N2O4P and a molecular weight of 436.45 g/mol. Its IUPAC name is N-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide
PubChem CID102579935
Molecular FormulaC24H25N2O4P
Molecular Weight436.45 g/mol
Exact Mass436.16
IUPAC NameN-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccn1
InChIInChI=1S/C24H25N2O4P/c27-24(22-16-9-10-18-25-22)26-21-15-7-8-17-23(21)31(28,29-19-11-3-1-4-12-19)30-20-13-5-2-6-14-20/h1-6,9-14,16,18,21,23H,7-8,15,17H2,(H,26,27)/t21-,23-/m0/s1
InChIKeyPJKYMRBWPAGHTH-GMAHTHKFSA-N
XLogP5.47
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.45
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide
CID 102308889
tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 22986749
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
CID 11919862
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide
CID 55152154
N-(3-cyclopropylcyclohexyl)pyridine-2-carboxamide
CID 171511790
1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea
CID 8656598
N-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide
CID 155912516
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
benzyl 3-hydroxy-4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 66706127
benzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 66706152
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide (CID 102579935) is N-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide is O=C(N[C@H]1CCCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccn1.
What is the InChIKey of N-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide?
The InChIKey is PJKYMRBWPAGHTH-GMAHTHKFSA-N. The full InChI is InChI=1S/C24H25N2O4P/c27-24(22-16-9-10-18-25-22)26-21-15-7-8-17-23(21)31(28,29-19-11-3-1-4-12-19)30-20-13-5-2-6-14-20/h1-6,9-14,16,18,21,23H,7-8,15,17H2,(H,26,27)/t21-,23-/m0/s1.
What are the key properties of N-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide?
N-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide has a molecular weight of 436.45 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 102579935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).