N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

C19H18N2OS — CID 39911879

IUPACN-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C19H18N2OS/c22-19(17-8-11-20-12-9-17)21(15-18-7-4-14-23-18)13-10-16-5-2-1-3-6-16/h1-9,11-12,14H,10,13,15H2
InChIKeyOIZLJVNGMGYLKO-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.03
Rot. Bonds6

About N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 39911879) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
PubChem CID39911879
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C19H18N2OS/c22-19(17-8-11-20-12-9-17)21(15-18-7-4-14-23-18)13-10-16-5-2-1-3-6-16/h1-9,11-12,14H,10,13,15H2
InChIKeyOIZLJVNGMGYLKO-UHFFFAOYSA-N
XLogP4.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 24677060
N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 42796265
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propylbenzamide
CID 3986046
N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide
CID 121084904
N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene
CID 144887997
4-methoxy-3-nitro-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9166650
1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 121084597
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide
CID 5021949
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 8808291
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 4573039

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (CID 39911879) is N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is O=C(c1ccncc1)N(CCc1ccccc1)Cc1cccs1.
What is the InChIKey of N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is OIZLJVNGMGYLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c22-19(17-8-11-20-12-9-17)21(15-18-7-4-14-23-18)13-10-16-5-2-1-3-6-16/h1-9,11-12,14H,10,13,15H2.
What are the key properties of N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 39911879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).