N-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide

C14H14N4OS — CID 166343844

IUPACN-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCCc1ncc[nH]1)c1cc2ccncc2s1
InChIInChI=1S/C14H14N4OS/c19-14(18-4-1-2-13-16-6-7-17-13)11-8-10-3-5-15-9-12(10)20-11/h3,5-9H,1-2,4H2,(H,16,17)(H,18,19)
InChIKeyJNSKJLCBBGODTR-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.38
Rot. Bonds5

About N-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide

N-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 166343844) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID166343844
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCCc1ncc[nH]1)c1cc2ccncc2s1
InChIInChI=1S/C14H14N4OS/c19-14(18-4-1-2-13-16-6-7-17-13)11-8-10-3-5-15-9-12(10)20-11/h3,5-9H,1-2,4H2,(H,16,17)(H,18,19)
InChIKeyJNSKJLCBBGODTR-UHFFFAOYSA-N
XLogP2.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1-benzothiophene-2-carboxamide
CID 64519148
3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 107973143
2-bromo-N-[3-(1H-imidazol-2-yl)propyl]pyridine-3-carboxamide
CID 114036178
N-[3-(1H-imidazol-2-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 91796962
N-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 140651901
5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924673
N-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 129142612
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983195
4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide
CID 135115730
N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103120564
N-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 115649621
N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071332

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide (CID 166343844) is N-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide is O=C(NCCCc1ncc[nH]1)c1cc2ccncc2s1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is JNSKJLCBBGODTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c19-14(18-4-1-2-13-16-6-7-17-13)11-8-10-3-5-15-9-12(10)20-11/h3,5-9H,1-2,4H2,(H,16,17)(H,18,19).
What are the key properties of N-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 166343844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).