4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide

C22H18N4O — CID 162631073

IUPAC4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide
SMILESO=C(NCCc1cccnc1)c1ccc(-c2nccc3ncccc23)cc1
InChIInChI=1S/C22H18N4O/c27-22(26-13-9-16-3-1-11-23-15-16)18-7-5-17(6-8-18)21-19-4-2-12-24-20(19)10-14-25-21/h1-8,10-12,14-15H,9,13H2,(H,26,27)
InChIKeyFPVZXFLQMWEBBL-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.66
Rot. Bonds5

About 4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide

4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 162631073) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID162631073
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide
SMILESO=C(NCCc1cccnc1)c1ccc(-c2nccc3ncccc23)cc1
InChIInChI=1S/C22H18N4O/c27-22(26-13-9-16-3-1-11-23-15-16)18-7-5-17(6-8-18)21-19-4-2-12-24-20(19)10-14-25-21/h1-8,10-12,14-15H,9,13H2,(H,26,27)
InChIKeyFPVZXFLQMWEBBL-UHFFFAOYSA-N
XLogP3.66
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide
CID 122564685
2-bromo-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 103752224
2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 112530316
N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 39559682
N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 31398756
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-(1,6-naphthyridin-5-yl)benzamide
CID 162628768
2-amino-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62072665
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485

Frequently Asked Questions

What is the IUPAC name of 4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide (CID 162631073) is 4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide is O=C(NCCc1cccnc1)c1ccc(-c2nccc3ncccc23)cc1.
What is the InChIKey of 4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is FPVZXFLQMWEBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c27-22(26-13-9-16-3-1-11-23-15-16)18-7-5-17(6-8-18)21-19-4-2-12-24-20(19)10-14-25-21/h1-8,10-12,14-15H,9,13H2,(H,26,27).
What are the key properties of 4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide?
4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 354.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 162631073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).