4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile

C14H10N4 — CID 62925693

IUPAC4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(CNc2ccnc(C#N)c2)cc1
InChIInChI=1S/C14H10N4/c15-8-11-1-3-12(4-2-11)10-18-13-5-6-17-14(7-13)9-16/h1-7H,10H2,(H,17,18)
InChIKeyABLAXLIVJBUUEF-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.44
Rot. Bonds3

About 4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile

4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile (PubChem CID 62925693) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile
PubChem CID62925693
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(CNc2ccnc(C#N)c2)cc1
InChIInChI=1S/C14H10N4/c15-8-11-1-3-12(4-2-11)10-18-13-5-6-17-14(7-13)9-16/h1-7H,10H2,(H,17,18)
InChIKeyABLAXLIVJBUUEF-UHFFFAOYSA-N
XLogP2.44
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 63881092
4-(furan-2-ylmethylamino)pyridine-2-carbonitrile
CID 62924814
4-(anilinomethyl)benzonitrile
CID 11148468
4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
CID 63882858
4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 63887670
4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63881509
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile
CID 63226781
4-(3-aminopropylamino)pyridine-2-carbonitrile
CID 62926383
4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile
CID 64596884
2-[(2-cyano-4-pyridinyl)amino]acetamide
CID 62924991
4-(2-methoxyethylamino)pyridine-2-carbonitrile
CID 62924815

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile (CID 62925693) is 4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile is N#Cc1ccc(CNc2ccnc(C#N)c2)cc1.
What is the InChIKey of 4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is ABLAXLIVJBUUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-8-11-1-3-12(4-2-11)10-18-13-5-6-17-14(7-13)9-16/h1-7H,10H2,(H,17,18).
What are the key properties of 4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile?
4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 62925693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).