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

C16H14N4OS — CID 121166239

IUPAC5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2cccnc2-c2cccs2)cn1
InChIInChI=1S/C16H14N4OS/c1-11-8-19-13(10-18-11)16(21)20-9-12-4-2-6-17-15(12)14-5-3-7-22-14/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyMMRXTEXDSCICCQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.84
Rot. Bonds4

About 5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide

5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide (PubChem CID 121166239) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
PubChem CID121166239
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2cccnc2-c2cccs2)cn1
InChIInChI=1S/C16H14N4OS/c1-11-8-19-13(10-18-11)16(21)20-9-12-4-2-6-17-15(12)14-5-3-7-22-14/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyMMRXTEXDSCICCQ-UHFFFAOYSA-N
XLogP2.84
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1,2-oxazole-4-carboxamide
CID 91625820
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266
4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166193
3,5-ditert-butyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166153
4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide
CID 121166113
3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166236
3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166121
3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166173
1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 121166342
N-[(2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 8870889
(2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide
CID 100745825
(3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 100746069

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide (CID 121166239) is 5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NCc2cccnc2-c2cccs2)cn1.
What is the InChIKey of 5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The InChIKey is MMRXTEXDSCICCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-11-8-19-13(10-18-11)16(21)20-9-12-4-2-6-17-15(12)14-5-3-7-22-14/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 121166239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).