4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide

C16H11N3OS2 — CID 99838969

IUPAC4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
SMILESN#Cc1csc(C(=O)N(Cc2ccsc2)c2cccnc2)c1
InChIInChI=1S/C16H11N3OS2/c17-7-13-6-15(22-11-13)16(20)19(9-12-3-5-21-10-12)14-2-1-4-18-8-14/h1-6,8,10-11H,9H2
InChIKeyXMQPFTQDNUXOJF-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.92
Rot. Bonds4

About 4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide

4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 99838969) has the molecular formula C16H11N3OS2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
PubChem CID99838969
Molecular FormulaC16H11N3OS2
Molecular Weight325.42 g/mol
Exact Mass325.03
IUPAC Name4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
SMILESN#Cc1csc(C(=O)N(Cc2ccsc2)c2cccnc2)c1
InChIInChI=1S/C16H11N3OS2/c17-7-13-6-15(22-11-13)16(20)19(9-12-3-5-21-10-12)14-2-1-4-18-8-14/h1-6,8,10-11H,9H2
InChIKeyXMQPFTQDNUXOJF-UHFFFAOYSA-N
XLogP3.92
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide
CID 129402819
(2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124887400
N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46492404
7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 167768521
N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
CID 47407985
4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 119059655
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile
CID 23508486
4-cyanothiophene-2-carboxamide;ethane
CID 170761979
N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119314158
4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
CID 62051809

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide (CID 99838969) is 4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide is N#Cc1csc(C(=O)N(Cc2ccsc2)c2cccnc2)c1.
What is the InChIKey of 4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is XMQPFTQDNUXOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS2/c17-7-13-6-15(22-11-13)16(20)19(9-12-3-5-21-10-12)14-2-1-4-18-8-14/h1-6,8,10-11H,9H2.
What are the key properties of 4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 99838969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).