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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Related Compounds

3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 82816673
2-[(3-chlorophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60678575
5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 62995291
2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62539424
2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine
CID 62538240
3-[(3-chlorophenyl)methylamino]pyrazine-2,5-dicarbonitrile
CID 71540606
5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile
CID 65469093
5-amino-2-(2,4-dichloroanilino)pyridine-3-carbonitrile
CID 54938417
5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 62880770
5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile
CID 61299853
2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine
CID 62537408
2-[(3-aminophenyl)methylamino]-4-chlorobenzonitrile
CID 63083140

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).