5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide

C13H15N3OS — CID 79614469

IUPAC5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide
SMILESCc1ccc(CNCc2cc(C(N)=O)cs2)cn1
InChIInChI=1S/C13H15N3OS/c1-9-2-3-10(6-16-9)5-15-7-12-4-11(8-18-12)13(14)17/h2-4,6,8,15H,5,7H2,1H3,(H2,14,17)
InChIKeyVXGMEVWAYUUBQK-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.84
Rot. Bonds5

About 5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide

5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide (PubChem CID 79614469) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide
PubChem CID79614469
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide
SMILESCc1ccc(CNCc2cc(C(N)=O)cs2)cn1
InChIInChI=1S/C13H15N3OS/c1-9-2-3-10(6-16-9)5-15-7-12-4-11(8-18-12)13(14)17/h2-4,6,8,15H,5,7H2,1H3,(H2,14,17)
InChIKeyVXGMEVWAYUUBQK-UHFFFAOYSA-N
XLogP1.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide (CID 79614469) is 5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide is Cc1ccc(CNCc2cc(C(N)=O)cs2)cn1.
What is the InChIKey of 5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide?
The InChIKey is VXGMEVWAYUUBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-2-3-10(6-16-9)5-15-7-12-4-11(8-18-12)13(14)17/h2-4,6,8,15H,5,7H2,1H3,(H2,14,17).
What are the key properties of 5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide?
5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).