N-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide

C32H31N3O2 — CID 90790434

IUPACN-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CC=C(NOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H31N3O2/c36-32(33-30(25-13-5-1-6-14-25)26-15-7-2-8-16-26)35-23-21-29(22-24-35)34-37-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-21,30-31,34H,22-24H2,(H,33,36)
InChIKeyLXESAVNIIATZTK-UHFFFAOYSA-N
MW489.62 g/mol
LogP6.39
Rot. Bonds8

About N-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide

N-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 90790434) has the molecular formula C32H31N3O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID90790434
Molecular FormulaC32H31N3O2
Molecular Weight489.62 g/mol
Exact Mass489.24
IUPAC NameN-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CC=C(NOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H31N3O2/c36-32(33-30(25-13-5-1-6-14-25)26-15-7-2-8-16-26)35-23-21-29(22-24-35)34-37-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-21,30-31,34H,22-24H2,(H,33,36)
InChIKeyLXESAVNIIATZTK-UHFFFAOYSA-N
XLogP6.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzhydryl-3-phenyloxaziridine-2-carboxamide
CID 146394654
N-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 91279073
1-Benzyl-3-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea
CID 57177828
N-benzhydryl-4-benzhydryloxyiminopiperidine-1-carboxamide
CID 57992673
N-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 91226995
benzene;3-benzhydryl-1-[2-[[(4Z,7Z)-deca-4,7,9-trien-2-yl]amino]ethyl]-1-ethylurea;phenylmethanol
CID 143193042
N-benzhydryl-3-(4-phenylphenyl)oxaziridine-2-carboxamide
CID 146394218
1-Benzhydryl-3-phenylmethoxyurea
CID 41558042

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 90790434) is N-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)N1CC=C(NOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is LXESAVNIIATZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O2/c36-32(33-30(25-13-5-1-6-14-25)26-15-7-2-8-16-26)35-23-21-29(22-24-35)34-37-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-21,30-31,34H,22-24H2,(H,33,36).
What are the key properties of N-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 6.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 90790434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).