N-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

C14H14N6OS — CID 47084176

IUPACN-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C14H14N6OS/c1-19(8-4-11-2-6-15-7-3-11)14(21)13-12(5-9-22-13)20-10-16-17-18-20/h2-3,5-7,9-10H,4,8H2,1H3
InChIKeyDKNNZBHFJAWTFQ-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.43
Rot. Bonds5

About N-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 47084176) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID47084176
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C14H14N6OS/c1-19(8-4-11-2-6-15-7-3-11)14(21)13-12(5-9-22-13)20-10-16-17-18-20/h2-3,5-7,9-10H,4,8H2,1H3
InChIKeyDKNNZBHFJAWTFQ-UHFFFAOYSA-N
XLogP1.43
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623319
N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 61219329
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 63796409
3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 60845060
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
CID 51120913
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110852596
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 47187933
N-(4-hydroxy-2-methylbutyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66108564
N-(3-amino-2-methylpropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119995821
2-(methoxymethyl)-N,4-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110374824

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 47084176) is N-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is CN(CCc1ccncc1)C(=O)c1sccc1-n1cnnn1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is DKNNZBHFJAWTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c1-19(8-4-11-2-6-15-7-3-11)14(21)13-12(5-9-22-13)20-10-16-17-18-20/h2-3,5-7,9-10H,4,8H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 47084176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).