N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine

C20H14ClN3 — CID 3575879

IUPACN-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine
SMILESClc1c2ccccc2c(C=NNc2ccccn2)c2ccccc12
InChIInChI=1S/C20H14ClN3/c21-20-16-9-3-1-7-14(16)18(15-8-2-4-10-17(15)20)13-23-24-19-11-5-6-12-22-19/h1-13H,(H,22,24)
InChIKeyFMFHQNDXDKNUQI-UHFFFAOYSA-N
MW331.81 g/mol
LogP5.49
Rot. Bonds3

About N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine

N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine (PubChem CID 3575879) has the molecular formula C20H14ClN3 and a molecular weight of 331.81 g/mol. Its IUPAC name is N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine
PubChem CID3575879
Molecular FormulaC20H14ClN3
Molecular Weight331.81 g/mol
Exact Mass331.09
IUPAC NameN-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine
SMILESClc1c2ccccc2c(C=NNc2ccccn2)c2ccccc12
InChIInChI=1S/C20H14ClN3/c21-20-16-9-3-1-7-14(16)18(15-8-2-4-10-17(15)20)13-23-24-19-11-5-6-12-22-19/h1-13H,(H,22,24)
InChIKeyFMFHQNDXDKNUQI-UHFFFAOYSA-N
XLogP5.49
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.81
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine
CID 6059144
N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine
CID 3937585
N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine
CID 136809709
N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4077407
2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439965
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine
CID 4840440
N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 4235681
N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine
CID 3464689
3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
CID 135747793
N-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine
CID 56695626
N-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine
CID 5024735
4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile
CID 4529137

Frequently Asked Questions

What is the IUPAC name of N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine (CID 3575879) is N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine is Clc1c2ccccc2c(C=NNc2ccccn2)c2ccccc12.
What is the InChIKey of N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine?
The InChIKey is FMFHQNDXDKNUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3/c21-20-16-9-3-1-7-14(16)18(15-8-2-4-10-17(15)20)13-23-24-19-11-5-6-12-22-19/h1-13H,(H,22,24).
What are the key properties of N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine?
N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine has a molecular weight of 331.81 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 3575879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).