5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide

C12H13N3OS — CID 79613567

IUPAC5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNCc2ccncc2)c1
InChIInChI=1S/C12H13N3OS/c13-12(16)10-5-11(17-8-10)7-15-6-9-1-3-14-4-2-9/h1-5,8,15H,6-7H2,(H2,13,16)
InChIKeyPESXBKOSFNDJGT-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.53
Rot. Bonds5

About 5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide

5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide (PubChem CID 79613567) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide
PubChem CID79613567
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNCc2ccncc2)c1
InChIInChI=1S/C12H13N3OS/c13-12(16)10-5-11(17-8-10)7-15-6-9-1-3-14-4-2-9/h1-5,8,15H,6-7H2,(H2,13,16)
InChIKeyPESXBKOSFNDJGT-UHFFFAOYSA-N
XLogP1.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide
CID 79614469
5-[(pyridin-2-ylmethylamino)methyl]thiophene-3-carboxamide
CID 79606263
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 28833082
5-[(2-imidazol-1-ylethylamino)methyl]thiophene-3-carboxamide
CID 79613529
5-(butylaminomethyl)thiophene-3-carboxamide
CID 79606629
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 61017624
5-[[2-(2-methylpropanoylamino)ethylamino]methyl]thiophene-3-carboxamide
CID 79606126
5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide
CID 81463264
5-[(3,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 115735473
5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide
CID 79614139
5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 79613545
5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide
CID 115735523

Frequently Asked Questions

What is the IUPAC name of 5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide (CID 79613567) is 5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNCc2ccncc2)c1.
What is the InChIKey of 5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide?
The InChIKey is PESXBKOSFNDJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-12(16)10-5-11(17-8-10)7-15-6-9-1-3-14-4-2-9/h1-5,8,15H,6-7H2,(H2,13,16).
What are the key properties of 5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide?
5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79613567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).