N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide

C19H14N4OS — CID 121177637

IUPACN-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1cccnc1-c1ccsc1)c1cnc2ccccc2n1
InChIInChI=1S/C19H14N4OS/c24-19(17-11-21-15-5-1-2-6-16(15)23-17)22-10-13-4-3-8-20-18(13)14-7-9-25-12-14/h1-9,11-12H,10H2,(H,22,24)
InChIKeyYEDUHHMHEBMONJ-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.68
Rot. Bonds4

About N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide

N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide (PubChem CID 121177637) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide
PubChem CID121177637
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC NameN-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1cccnc1-c1ccsc1)c1cnc2ccccc2n1
InChIInChI=1S/C19H14N4OS/c24-19(17-11-21-15-5-1-2-6-16(15)23-17)22-10-13-4-3-8-20-18(13)14-7-9-25-12-14/h1-9,11-12H,10H2,(H,22,24)
InChIKeyYEDUHHMHEBMONJ-UHFFFAOYSA-N
XLogP3.68
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 121177783
4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 121177628
5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 91630166
4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 121177843
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 91630191
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-6-carboxamide
CID 121177736
4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 91630266
N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
CID 17418457
6-ethoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 91630264
2-naphthalen-2-yloxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 121177728
1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 91630267
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide (CID 121177637) is N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide is O=C(NCc1cccnc1-c1ccsc1)c1cnc2ccccc2n1.
What is the InChIKey of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide?
The InChIKey is YEDUHHMHEBMONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c24-19(17-11-21-15-5-1-2-6-16(15)23-17)22-10-13-4-3-8-20-18(13)14-7-9-25-12-14/h1-9,11-12H,10H2,(H,22,24).
What are the key properties of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide?
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 121177637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).