2,5-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]furan-3-carboxamide

C17H16N2O2S — CID 91625605

IUPAC2,5-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccnc(-c3ccsc3)c2)c(C)o1
InChIInChI=1S/C17H16N2O2S/c1-11-7-15(12(2)21-11)17(20)19-9-13-3-5-18-16(8-13)14-4-6-22-10-14/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyLKZIGJFHSJAIDK-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.95
Rot. Bonds4

About 2,5-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]furan-3-carboxamide

2,5-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]furan-3-carboxamide (PubChem CID 91625605) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]furan-3-carboxamide
PubChem CID91625605
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2,5-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccnc(-c3ccsc3)c2)c(C)o1
InChIInChI=1S/C17H16N2O2S/c1-11-7-15(12(2)21-11)17(20)19-9-13-3-5-18-16(8-13)14-4-6-22-10-14/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyLKZIGJFHSJAIDK-UHFFFAOYSA-N
XLogP3.95
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[(2-methyl-3-furoyl)amino]-4-(4-pyridinyl)-3-thiophenecarboxylate
CID 1247236
2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide
CID 2796041
2,4,5-trimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide
CID 40054386
4-Furan-2-yl-2-thiophen-2-yl-pyridine
CID 44276312
2,5-dimethyl-N-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 71990287
N-{[2-(thiophen-2-yl)pyridin-3-yl]methyl}-3-(trifluoromethoxy)benzamide
CID 91625818
N-{[2-(thiophen-3-yl)pyridin-3-yl]methyl}-3-(trifluoromethoxy)benzamide
CID 91630248
6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 172437500
N-(6-methoxy-3-thiophen-3-ylpyrazin-2-yl)-2,5-dimethylfuran-3-carboxamide
CID 172437516
Ethyl 4-(5-methylfuran-2-yl)-2-(nicotinamido)thiophene-3-carboxylate
CID 1251376
(2,5-Dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone
CID 2814860
2,5-dimethyl-N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)furan-3-carboxamide
CID 49715427

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]furan-3-carboxamide (CID 91625605) is 2,5-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]furan-3-carboxamide is Cc1cc(C(=O)NCc2ccnc(-c3ccsc3)c2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]furan-3-carboxamide?
The InChIKey is LKZIGJFHSJAIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-7-15(12(2)21-11)17(20)19-9-13-3-5-18-16(8-13)14-4-6-22-10-14/h3-8,10H,9H2,1-2H3,(H,19,20).
What are the key properties of 2,5-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]furan-3-carboxamide?
2,5-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]furan-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 91625605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).