N-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide

C21H16N4O — CID 66633812

IUPACN-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(-c2cccnc2)cc1)c1cnc2ncccc2c1
InChIInChI=1S/C21H16N4O/c26-21(19-11-17-3-2-10-23-20(17)24-14-19)25-12-15-5-7-16(8-6-15)18-4-1-9-22-13-18/h1-11,13-14H,12H2,(H,25,26)
InChIKeyCSXCJEAISAHZDL-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.62
Rot. Bonds4

About N-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide

N-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 66633812) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID66633812
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC NameN-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(-c2cccnc2)cc1)c1cnc2ncccc2c1
InChIInChI=1S/C21H16N4O/c26-21(19-11-17-3-2-10-23-20(17)24-14-19)25-12-15-5-7-16(8-6-15)18-4-1-9-22-13-18/h1-11,13-14H,12H2,(H,25,26)
InChIKeyCSXCJEAISAHZDL-UHFFFAOYSA-N
XLogP3.62
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 141351888
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
4-(1,8-naphthyridin-2-yl)-N-[(4-phenylphenyl)methyl]benzamide
CID 71449507
N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide
CID 50831636
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 59672655
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
N-benzylpyridine-3-carboxamide chloride
CID 21204170
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide
CID 71993129
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea
CID 71925683

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide (CID 66633812) is N-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide is O=C(NCc1ccc(-c2cccnc2)cc1)c1cnc2ncccc2c1.
What is the InChIKey of N-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is CSXCJEAISAHZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c26-21(19-11-17-3-2-10-23-20(17)24-14-19)25-12-15-5-7-16(8-6-15)18-4-1-9-22-13-18/h1-11,13-14H,12H2,(H,25,26).
What are the key properties of N-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide?
N-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 66633812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).