N-(benzhydrylideneamino)-6-methoxy-5-nitropyridin-3-amine

C19H16N4O3 — CID 169171452

IUPACN-(benzhydrylideneamino)-6-methoxy-5-nitropyridin-3-amine
SMILESCOc1ncc(NN=C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16N4O3/c1-26-19-17(23(24)25)12-16(13-20-19)21-22-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,21H,1H3
InChIKeySKDACCLDCFDRLH-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.86
Rot. Bonds6

About N-(benzhydrylideneamino)-6-methoxy-5-nitropyridin-3-amine

N-(benzhydrylideneamino)-6-methoxy-5-nitropyridin-3-amine (PubChem CID 169171452) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-6-methoxy-5-nitropyridin-3-amine.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-6-methoxy-5-nitropyridin-3-amine
PubChem CID169171452
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC NameN-(benzhydrylideneamino)-6-methoxy-5-nitropyridin-3-amine
SMILESCOc1ncc(NN=C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16N4O3/c1-26-19-17(23(24)25)12-16(13-20-19)21-22-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,21H,1H3
InChIKeySKDACCLDCFDRLH-UHFFFAOYSA-N
XLogP3.86
TPSA89.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(6-methoxy-5-nitro-3-pyridinyl)hydrazine
CID 169171499
6-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953
methyl 6-methoxy-5-nitropyridine-3-carboxylate
CID 2746880
1-[(6-methoxy-5-nitropyridine-3-carbonyl)amino]-3-phenylthiourea
CID 5146972
N-(benzhydrylideneamino)-2,4-dinitroaniline
CID 139071012
5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
3-methyl-4-nitro-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 3726967
N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 2836812
5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine
CID 133087485
CID 88875877
CID 88875877
N-(benzhydrylideneamino)-4-methoxypyridin-2-amine
CID 59186968
N-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine
CID 6174563

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-6-methoxy-5-nitropyridin-3-amine?
The IUPAC name of N-(benzhydrylideneamino)-6-methoxy-5-nitropyridin-3-amine (CID 169171452) is N-(benzhydrylideneamino)-6-methoxy-5-nitropyridin-3-amine.
What is the SMILES notation for N-(benzhydrylideneamino)-6-methoxy-5-nitropyridin-3-amine?
The canonical SMILES for N-(benzhydrylideneamino)-6-methoxy-5-nitropyridin-3-amine is COc1ncc(NN=C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(benzhydrylideneamino)-6-methoxy-5-nitropyridin-3-amine?
The InChIKey is SKDACCLDCFDRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-26-19-17(23(24)25)12-16(13-20-19)21-22-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,21H,1H3.
What are the key properties of N-(benzhydrylideneamino)-6-methoxy-5-nitropyridin-3-amine?
N-(benzhydrylideneamino)-6-methoxy-5-nitropyridin-3-amine has a molecular weight of 348.36 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-6-methoxy-5-nitropyridin-3-amine is sourced from PubChem (CID 169171452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).