N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide

C16H16N4OS — CID 37194009

IUPACN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCc1cccnc1-n1ccnc1
InChIInChI=1S/C16H16N4OS/c21-15(6-5-14-4-2-10-22-14)19-11-13-3-1-7-18-16(13)20-9-8-17-12-20/h1-4,7-10,12H,5-6,11H2,(H,19,21)
InChIKeyREKLBIHBMHEUCR-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.58
Rot. Bonds6

About N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide

N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 37194009) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID37194009
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCc1cccnc1-n1ccnc1
InChIInChI=1S/C16H16N4OS/c21-15(6-5-14-4-2-10-22-14)19-11-13-3-1-7-18-16(13)20-9-8-17-12-20/h1-4,7-10,12H,5-6,11H2,(H,19,21)
InChIKeyREKLBIHBMHEUCR-UHFFFAOYSA-N
XLogP2.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231
2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 37192727
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
CID 110730380
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 37185608
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 56711373
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 42519834
1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine
CID 99844699
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 56705378
2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 71936589
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 45248847
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide
CID 154794418
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 56812625

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide (CID 37194009) is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NCc1cccnc1-n1ccnc1.
What is the InChIKey of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is REKLBIHBMHEUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-15(6-5-14-4-2-10-22-14)19-11-13-3-1-7-18-16(13)20-9-8-17-12-20/h1-4,7-10,12H,5-6,11H2,(H,19,21).
What are the key properties of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide?
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 312.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 37194009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).