6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile

C14H14N4 — CID 81090675

IUPAC6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCc2ccc(CN)cc2)n1
InChIInChI=1S/C14H14N4/c15-8-11-4-6-12(7-5-11)10-17-14-3-1-2-13(9-16)18-14/h1-7H,8,10,15H2,(H,17,18)
InChIKeyDYHBHFWKAPSNLV-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.02
Rot. Bonds4

About 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile

6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile (PubChem CID 81090675) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile
PubChem CID81090675
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCc2ccc(CN)cc2)n1
InChIInChI=1S/C14H14N4/c15-8-11-4-6-12(7-5-11)10-17-14-3-1-2-13(9-16)18-14/h1-7H,8,10,15H2,(H,17,18)
InChIKeyDYHBHFWKAPSNLV-UHFFFAOYSA-N
XLogP2.02
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(6-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 64588346
N-[[4-(aminomethyl)phenyl]methyl]-6-methylpyridin-2-amine
CID 54936308
6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile
CID 64589167
5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099512
6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 133392143
4-[[[6-(propylamino)-2-pyridinyl]amino]methyl]benzonitrile
CID 80821765
6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile
CID 106398793
6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile
CID 133392835
6-(3-cyanopropylamino)pyridine-2-carbonitrile
CID 130778540
6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carbonitrile
CID 64588768
N-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide
CID 86814249
6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid
CID 62268952

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile (CID 81090675) is 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile is N#Cc1cccc(NCc2ccc(CN)cc2)n1.
What is the InChIKey of 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile?
The InChIKey is DYHBHFWKAPSNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-8-11-4-6-12(7-5-11)10-17-14-3-1-2-13(9-16)18-14/h1-7H,8,10,15H2,(H,17,18).
What are the key properties of 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile?
6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 81090675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).