N-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide

C17H15N2O+ — CID 4056406

IUPACN-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide
SMILESO=C(NCc1cccc[nH+]1)c1cccc2ccccc12
InChIInChI=1S/C17H14N2O/c20-17(19-12-14-8-3-4-11-18-14)16-10-5-7-13-6-1-2-9-15(13)16/h1-11H,12H2,(H,19,20)/p+1
InChIKeyULDKBKFKMJPTKZ-UHFFFAOYSA-O
MW263.32 g/mol
LogP2.58
Rot. Bonds3

About N-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide

N-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide (PubChem CID 4056406) has the molecular formula C17H15N2O+ and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide
PubChem CID4056406
Molecular FormulaC17H15N2O+
Molecular Weight263.32 g/mol
Exact Mass263.12
IUPAC NameN-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide
SMILESO=C(NCc1cccc[nH+]1)c1cccc2ccccc12
InChIInChI=1S/C17H14N2O/c20-17(19-12-14-8-3-4-11-18-14)16-10-5-7-13-6-1-2-9-15(13)16/h1-11H,12H2,(H,19,20)/p+1
InChIKeyULDKBKFKMJPTKZ-UHFFFAOYSA-O
XLogP2.58
TPSA43.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(pyridin-1-ium-2-ylmethyl)benzamide chloride
CID 74766050
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
N-[[4-(hydroxycarbamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 10125717
N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide
CID 110440178
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
N-(2-amino-2-oxoethyl)naphthalene-1-carboxamide
CID 4059241
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 60535333
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide
CID 114693786
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 31644651

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide?
The IUPAC name of N-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide (CID 4056406) is N-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide is O=C(NCc1cccc[nH+]1)c1cccc2ccccc12.
What is the InChIKey of N-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide?
The InChIKey is ULDKBKFKMJPTKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H14N2O/c20-17(19-12-14-8-3-4-11-18-14)16-10-5-7-13-6-1-2-9-15(13)16/h1-11H,12H2,(H,19,20)/p+1.
What are the key properties of N-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide?
N-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 4056406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).