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

C21H27N3O2 — CID 109196271

IUPACN-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(N3CCCCC3CC)cn2)cc1
InChIInChI=1S/C21H27N3O2/c1-3-17-7-5-6-14-24(17)18-10-13-20(22-15-18)21(25)23-16-8-11-19(12-9-16)26-4-2/h8-13,15,17H,3-7,14H2,1-2H3,(H,23,25)
InChIKeyMQLIRNUHOJTJHX-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.50
Rot. Bonds6

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

N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 109196271) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
PubChem CID109196271
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(N3CCCCC3CC)cn2)cc1
InChIInChI=1S/C21H27N3O2/c1-3-17-7-5-6-14-24(17)18-10-13-20(22-15-18)21(25)23-16-8-11-19(12-9-16)26-4-2/h8-13,15,17H,3-7,14H2,1-2H3,(H,23,25)
InChIKeyMQLIRNUHOJTJHX-UHFFFAOYSA-N
XLogP4.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196262
N-(4-ethoxyphenyl)-4-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218049
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
5-(2-ethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide
CID 109194957
5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 104690117
5-(2-ethylpiperidin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109195721
5-(2-ethylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191491
5-(2-ethylpiperidin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109196298
1-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-3-phenylurea
CID 113030715
5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194845
N-[4-(2-ethylpiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 112985422
2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109333798

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide (CID 109196271) is N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide is CCOc1ccc(NC(=O)c2ccc(N3CCCCC3CC)cn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is MQLIRNUHOJTJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-17-7-5-6-14-24(17)18-10-13-20(22-15-18)21(25)23-16-8-11-19(12-9-16)26-4-2/h8-13,15,17H,3-7,14H2,1-2H3,(H,23,25).
What are the key properties of N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide?
N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109196271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).