5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

C20H27N3O2 — CID 109236852

IUPAC5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCCCCN(C)c1cncc(C(=O)NCCc2ccc(OC)cc2)c1
InChIInChI=1S/C20H27N3O2/c1-4-5-12-23(2)18-13-17(14-21-15-18)20(24)22-11-10-16-6-8-19(25-3)9-7-16/h6-9,13-15H,4-5,10-12H2,1-3H3,(H,22,24)
InChIKeyCLKCOCCXWQBAOV-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.30
Rot. Bonds9

About 5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109236852) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID109236852
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCCCCN(C)c1cncc(C(=O)NCCc2ccc(OC)cc2)c1
InChIInChI=1S/C20H27N3O2/c1-4-5-12-23(2)18-13-17(14-21-15-18)20(24)22-11-10-16-6-8-19(25-3)9-7-16/h6-9,13-15H,4-5,10-12H2,1-3H3,(H,22,24)
InChIKeyCLKCOCCXWQBAOV-UHFFFAOYSA-N
XLogP3.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109224385
5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide
CID 109237075
N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide
CID 109231681
5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109106596
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236857
N-(4-methoxyphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237121
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109224372
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109236583
5-[butyl(methyl)amino]-N,N-diethylpyridine-3-carboxamide
CID 109238765

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 109236852) is 5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is CCCCN(C)c1cncc(C(=O)NCCc2ccc(OC)cc2)c1.
What is the InChIKey of 5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is CLKCOCCXWQBAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-5-12-23(2)18-13-17(14-21-15-18)20(24)22-11-10-16-6-8-19(25-3)9-7-16/h6-9,13-15H,4-5,10-12H2,1-3H3,(H,22,24).
What are the key properties of 5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109236852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).