[5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid

C19H14ClN3O2 — CID 89455050

IUPAC[5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid
SMILESO=C(O)N(Cl)c1cncc(N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H14ClN3O2/c20-23(19(24)25)17-11-16(12-21-13-17)22-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,24,25)
InChIKeyIYXUUMWWWCLXBR-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.89
Rot. Bonds4

About [5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid

[5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid (PubChem CID 89455050) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is [5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid.

Molecular Properties

Compound Name[5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid
PubChem CID89455050
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name[5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid
SMILESO=C(O)N(Cl)c1cncc(N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H14ClN3O2/c20-23(19(24)25)17-11-16(12-21-13-17)22-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,24,25)
InChIKeyIYXUUMWWWCLXBR-UHFFFAOYSA-N
XLogP4.89
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze [5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine
CID 156507700
N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine
CID 90020358
N-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine
CID 171466296
5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile
CID 164600664
4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline
CID 134172989
tert-butyl N-[1-[5-(benzhydrylideneamino)-3-pyridinyl]-3,3-difluoropropyl]carbamate
CID 172594102
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
N-(3,5-dimethylphenyl)-1,1-diphenylmethanimine
CID 11033428
4-(benzhydrylideneamino)benzene-1,2-diol
CID 175353708
N-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine
CID 143871675
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine
CID 58390255
4-N-[4-[N-[4-[bis[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]methylideneamino]phenyl]-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-[N-[4-[bis[4-(N-phenylanilino)phenyl]methylideneamino]phenyl]-C-[4-(N-phenylanilino)phenyl]carbonimidoyl]-N,N-diphenylaniline
CID 160656529

Frequently Asked Questions

What is the IUPAC name of [5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid?
The IUPAC name of [5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid (CID 89455050) is [5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid.
What is the SMILES notation for [5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid?
The canonical SMILES for [5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid is O=C(O)N(Cl)c1cncc(N=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid?
The InChIKey is IYXUUMWWWCLXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-23(19(24)25)17-11-16(12-21-13-17)22-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,24,25).
What are the key properties of [5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid?
[5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid has a molecular weight of 351.79 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid is sourced from PubChem (CID 89455050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).