N-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide

C27H26N4O2 — CID 91226995

IUPACN-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESN#Cc1cccc(CONC2=CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C27H26N4O2/c28-19-21-8-7-9-22(18-21)20-33-30-25-14-16-31(17-15-25)27(32)29-26(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-14,18,26,30H,15-17,20H2,(H,29,32)
InChIKeyBGTSUUXYIDNETR-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.67
Rot. Bonds7

About N-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide

N-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 91226995) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID91226995
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC NameN-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESN#Cc1cccc(CONC2=CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C27H26N4O2/c28-19-21-8-7-9-22(18-21)20-33-30-25-14-16-31(17-15-25)27(32)29-26(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-14,18,26,30H,15-17,20H2,(H,29,32)
InChIKeyBGTSUUXYIDNETR-UHFFFAOYSA-N
XLogP4.67
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(benzhydrylcarbamoylamino)-3-(3-cyanophenyl)propanoic acid
CID 57247181
(3-cyanophenyl)methyl 2-phenylpropanoate
CID 175581307
3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid
CID 115955877
3-chloro-4-[(3-cyanophenyl)methoxy]benzoic acid
CID 60711872
N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide
CID 47042118
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3-cyanophenoxy)acetamide
CID 8852910
N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide
CID 10204752
3-[(2-ethylphenoxy)methyl]benzonitrile
CID 39158687
N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide
CID 103716734
3-[(3-cyanophenyl)methoxy]-4-methoxybenzoic acid
CID 24695620
4-[(3-cyanophenyl)methyl]piperazine-1-carboxylic acid
CID 18662881
3-cyano-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8797978

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 91226995) is N-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide is N#Cc1cccc(CONC2=CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of N-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is BGTSUUXYIDNETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c28-19-21-8-7-9-22(18-21)20-33-30-25-14-16-31(17-15-25)27(32)29-26(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-14,18,26,30H,15-17,20H2,(H,29,32).
What are the key properties of N-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide?
N-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 91226995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).