N-pyridin-4-ylnaphthalene-1-carboxamide

C16H12N2O — CID 854749

IUPACN-pyridin-4-ylnaphthalene-1-carboxamide
SMILESO=C(Nc1ccncc1)c1cccc2ccccc12
InChIInChI=1S/C16H12N2O/c19-16(18-13-8-10-17-11-9-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,17,18,19)
InChIKeyOKOUVXZHGBZILV-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.49
Rot. Bonds2

About N-pyridin-4-ylnaphthalene-1-carboxamide

N-pyridin-4-ylnaphthalene-1-carboxamide (PubChem CID 854749) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is N-pyridin-4-ylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-ylnaphthalene-1-carboxamide
PubChem CID854749
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC NameN-pyridin-4-ylnaphthalene-1-carboxamide
SMILESO=C(Nc1ccncc1)c1cccc2ccccc12
InChIInChI=1S/C16H12N2O/c19-16(18-13-8-10-17-11-9-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,17,18,19)
InChIKeyOKOUVXZHGBZILV-UHFFFAOYSA-N
XLogP3.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-ylnaphthalene-1-carboxamide?
The IUPAC name of N-pyridin-4-ylnaphthalene-1-carboxamide (CID 854749) is N-pyridin-4-ylnaphthalene-1-carboxamide.
What is the SMILES notation for N-pyridin-4-ylnaphthalene-1-carboxamide?
The canonical SMILES for N-pyridin-4-ylnaphthalene-1-carboxamide is O=C(Nc1ccncc1)c1cccc2ccccc12.
What is the InChIKey of N-pyridin-4-ylnaphthalene-1-carboxamide?
The InChIKey is OKOUVXZHGBZILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16(18-13-8-10-17-11-9-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,17,18,19).
What are the key properties of N-pyridin-4-ylnaphthalene-1-carboxamide?
N-pyridin-4-ylnaphthalene-1-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-ylnaphthalene-1-carboxamide is sourced from PubChem (CID 854749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).