5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide

C20H25N3O2 — CID 109196897

IUPAC5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(N3CCCCCC3)cn2)cc1
InChIInChI=1S/C20H25N3O2/c1-2-25-18-10-7-16(8-11-18)22-20(24)19-12-9-17(15-21-19)23-13-5-3-4-6-14-23/h7-12,15H,2-6,13-14H2,1H3,(H,22,24)
InChIKeyTZQUXTGXZOPICQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.11
Rot. Bonds5

About 5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide

5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109196897) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
PubChem CID109196897
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(N3CCCCCC3)cn2)cc1
InChIInChI=1S/C20H25N3O2/c1-2-25-18-10-7-16(8-11-18)22-20(24)19-12-9-17(15-21-19)23-13-5-3-4-6-14-23/h7-12,15H,2-6,13-14H2,1H3,(H,22,24)
InChIKeyTZQUXTGXZOPICQ-UHFFFAOYSA-N
XLogP4.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
N-(4-ethoxyphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204671
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182819
N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196271
5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
CID 109196891
5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109196949
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
6-[(4-ethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427210
N-(4-ethoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639683
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182834

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide (CID 109196897) is 5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide is CCOc1ccc(NC(=O)c2ccc(N3CCCCCC3)cn2)cc1.
What is the InChIKey of 5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is TZQUXTGXZOPICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-25-18-10-7-16(8-11-18)22-20(24)19-12-9-17(15-21-19)23-13-5-3-4-6-14-23/h7-12,15H,2-6,13-14H2,1H3,(H,22,24).
What are the key properties of 5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109196897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).