4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile

C17H13N3 — CID 139483438

IUPAC4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(Cc2cnccc2N)c2ccccc12
InChIInChI=1S/C17H13N3/c18-10-13-6-5-12(15-3-1-2-4-16(13)15)9-14-11-20-8-7-17(14)19/h1-8,11H,9H2,(H2,19,20)
InChIKeyVKPOZBRAONKJRT-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.28
Rot. Bonds2

About 4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile

4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile (PubChem CID 139483438) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile
PubChem CID139483438
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(Cc2cnccc2N)c2ccccc12
InChIInChI=1S/C17H13N3/c18-10-13-6-5-12(15-3-1-2-4-16(13)15)9-14-11-20-8-7-17(14)19/h1-8,11H,9H2,(H2,19,20)
InChIKeyVKPOZBRAONKJRT-UHFFFAOYSA-N
XLogP3.28
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile (CID 139483438) is 4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile is N#Cc1ccc(Cc2cnccc2N)c2ccccc12.
What is the InChIKey of 4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile?
The InChIKey is VKPOZBRAONKJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c18-10-13-6-5-12(15-3-1-2-4-16(13)15)9-14-11-20-8-7-17(14)19/h1-8,11H,9H2,(H2,19,20).
What are the key properties of 4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile?
4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile is sourced from PubChem (CID 139483438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).