5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide

C21H21N3O2 — CID 109231887

IUPAC5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cncc(NCc2ccccc2)c1
InChIInChI=1S/C21H21N3O2/c1-2-26-20-11-7-6-10-19(20)24-21(25)17-12-18(15-22-14-17)23-13-16-8-4-3-5-9-16/h3-12,14-15,23H,2,13H2,1H3,(H,24,25)
InChIKeyMOWDAJQTIHSXNO-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.34
Rot. Bonds7

About 5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide

5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109231887) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID109231887
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cncc(NCc2ccccc2)c1
InChIInChI=1S/C21H21N3O2/c1-2-26-20-11-7-6-10-19(20)24-21(25)17-12-18(15-22-14-17)23-13-16-8-4-3-5-9-16/h3-12,14-15,23H,2,13H2,1H3,(H,24,25)
InChIKeyMOWDAJQTIHSXNO-UHFFFAOYSA-N
XLogP4.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109244073
5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109231871
5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109243078
4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide
CID 53108666
5-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109242967
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109244010
5-(2-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245416
N-(2-ethoxyphenyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109245387
N-(2-ethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-3-carboxamide
CID 109243714
3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101457
5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109231933
N-(2-ethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191680

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide (CID 109231887) is 5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide is CCOc1ccccc1NC(=O)c1cncc(NCc2ccccc2)c1.
What is the InChIKey of 5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is MOWDAJQTIHSXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-2-26-20-11-7-6-10-19(20)24-21(25)17-12-18(15-22-14-17)23-13-16-8-4-3-5-9-16/h3-12,14-15,23H,2,13H2,1H3,(H,24,25).
What are the key properties of 5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109231887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).