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

C13H11ClN4 — CID 62537909

IUPAC5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NCc1cccc(Cl)c1
InChIInChI=1S/C13H11ClN4/c14-11-3-1-2-9(4-11)7-17-13-10(6-15)5-12(16)8-18-13/h1-5,8H,7,16H2,(H,17,18)
InChIKeyMJCZOOLCQNEXEX-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.80
Rot. Bonds3

About 5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile

5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile (PubChem CID 62537909) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile
PubChem CID62537909
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NCc1cccc(Cl)c1
InChIInChI=1S/C13H11ClN4/c14-11-3-1-2-9(4-11)7-17-13-10(6-15)5-12(16)8-18-13/h1-5,8H,7,16H2,(H,17,18)
InChIKeyMJCZOOLCQNEXEX-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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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile (CID 62537909) is 5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile is N#Cc1cc(N)cnc1NCc1cccc(Cl)c1.
What is the InChIKey of 5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is MJCZOOLCQNEXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-11-3-1-2-9(4-11)7-17-13-10(6-15)5-12(16)8-18-13/h1-5,8H,7,16H2,(H,17,18).
What are the key properties of 5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile?
5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-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 5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 62537909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).