4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile

C17H13N3 — CID 63881509

IUPAC4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNc2ccc3ccccc3c2)ccn1
InChIInChI=1S/C17H13N3/c18-11-17-9-13(7-8-19-17)12-20-16-6-5-14-3-1-2-4-15(14)10-16/h1-10,20H,12H2
InChIKeyWMZUQLYCENKBEJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.72
Rot. Bonds3

About 4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile

4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile (PubChem CID 63881509) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile
PubChem CID63881509
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNc2ccc3ccccc3c2)ccn1
InChIInChI=1S/C17H13N3/c18-11-17-9-13(7-8-19-17)12-20-16-6-5-14-3-1-2-4-15(14)10-16/h1-10,20H,12H2
InChIKeyWMZUQLYCENKBEJ-UHFFFAOYSA-N
XLogP3.72
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 63881092
4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 63887670
4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
CID 63882858
4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile
CID 103826035
4-[(4-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 63888074
4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile
CID 66352811
4-[(4-butylanilino)methyl]pyridine-2-carbonitrile
CID 63880716
4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 134244020
4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile
CID 65469773
4-[(3-bromo-5-methylanilino)methyl]pyridine-2-carbonitrile
CID 104937835
4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile
CID 62925693
4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 113285870

Frequently Asked Questions

What is the IUPAC name of 4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile (CID 63881509) is 4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile is N#Cc1cc(CNc2ccc3ccccc3c2)ccn1.
What is the InChIKey of 4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile?
The InChIKey is WMZUQLYCENKBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c18-11-17-9-13(7-8-19-17)12-20-16-6-5-14-3-1-2-4-15(14)10-16/h1-10,20H,12H2.
What are the key properties of 4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile?
4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63881509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).