N-(benzhydrylideneamino)-2-chloropyridin-4-amine

C18H14ClN3 — CID 126742562

IUPACN-(benzhydrylideneamino)-2-chloropyridin-4-amine
SMILESClc1cc(NN=C(c2ccccc2)c2ccccc2)ccn1
InChIInChI=1S/C18H14ClN3/c19-17-13-16(11-12-20-17)21-22-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,20,21)
InChIKeyNVIBGIHZTHIVGR-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.60
Rot. Bonds4

About N-(benzhydrylideneamino)-2-chloropyridin-4-amine

N-(benzhydrylideneamino)-2-chloropyridin-4-amine (PubChem CID 126742562) has the molecular formula C18H14ClN3 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-chloropyridin-4-amine.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-chloropyridin-4-amine
PubChem CID126742562
Molecular FormulaC18H14ClN3
Molecular Weight307.78 g/mol
Exact Mass307.09
IUPAC NameN-(benzhydrylideneamino)-2-chloropyridin-4-amine
SMILESClc1cc(NN=C(c2ccccc2)c2ccccc2)ccn1
InChIInChI=1S/C18H14ClN3/c19-17-13-16(11-12-20-17)21-22-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,20,21)
InChIKeyNVIBGIHZTHIVGR-UHFFFAOYSA-N
XLogP4.60
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline
CID 4224641
2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol
CID 103721804
N-(benzhydrylideneamino)-2-chloroaniline
CID 11515058
N-(benzhydrylideneamino)-4-methoxypyridin-2-amine
CID 59186968
N-(benzhydrylideneamino)-9,9-dimethylfluoren-2-amine
CID 89409842
N-[[(4-methylphenyl)-phenylmethylidene]amino]aniline
CID 78146288
N-(benzhydrylideneamino)-4-ethoxypyridin-2-amine
CID 168893959
3-(2-chloro-4-pyridinyl)-1-methyl-1-phenylurea
CID 134114152
(NZ)-N-[(4-chloro-2-pyridinyl)-phenylmethylidene]hydroxylamine
CID 137298443
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
4-[(E)-N-anilino-C-phenylcarbonimidoyl]-2,6-ditert-butylphenol
CID 135598899
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-chloropyridin-4-amine?
The IUPAC name of N-(benzhydrylideneamino)-2-chloropyridin-4-amine (CID 126742562) is N-(benzhydrylideneamino)-2-chloropyridin-4-amine.
What is the SMILES notation for N-(benzhydrylideneamino)-2-chloropyridin-4-amine?
The canonical SMILES for N-(benzhydrylideneamino)-2-chloropyridin-4-amine is Clc1cc(NN=C(c2ccccc2)c2ccccc2)ccn1.
What is the InChIKey of N-(benzhydrylideneamino)-2-chloropyridin-4-amine?
The InChIKey is NVIBGIHZTHIVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3/c19-17-13-16(11-12-20-17)21-22-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,20,21).
What are the key properties of N-(benzhydrylideneamino)-2-chloropyridin-4-amine?
N-(benzhydrylideneamino)-2-chloropyridin-4-amine has a molecular weight of 307.78 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-chloropyridin-4-amine is sourced from PubChem (CID 126742562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).