3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile

C13H11ClN4 — CID 82816673

IUPAC3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2cccc(Cl)c2)c1N
InChIInChI=1S/C13H11ClN4/c14-11-3-1-2-9(6-11)8-18-13-12(16)10(7-15)4-5-17-13/h1-6H,8,16H2,(H,17,18)
InChIKeyPJASSKHZLVKQSJ-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.80
Rot. Bonds3

About 3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile

3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile (PubChem CID 82816673) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile
PubChem CID82816673
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2cccc(Cl)c2)c1N
InChIInChI=1S/C13H11ClN4/c14-11-3-1-2-9(6-11)8-18-13-12(16)10(7-15)4-5-17-13/h1-6H,8,16H2,(H,17,18)
InChIKeyPJASSKHZLVKQSJ-UHFFFAOYSA-N
XLogP2.80
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile
CID 62537909
3-amino-2-[(2-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 82816953
2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine
CID 62537408
2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62539424
2-[(3-chlorophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60678575
3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816750
2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile
CID 39743124
N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963
3-[(3-chlorophenyl)methylamino]pyrazine-2,5-dicarbonitrile
CID 71540606
2-[(3-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980322
3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034
3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile
CID 82814128

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile (CID 82816673) is 3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile is N#Cc1ccnc(NCc2cccc(Cl)c2)c1N.
What is the InChIKey of 3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile?
The InChIKey is PJASSKHZLVKQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-11-3-1-2-9(6-11)8-18-13-12(16)10(7-15)4-5-17-13/h1-6H,8,16H2,(H,17,18).
What are the key properties of 3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile?
3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile has a molecular weight of 258.71 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 82816673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).