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N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C18H20N2OS — CID 18144092

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)N1CCc2sccc2C1
InChIInChI=1S/C18H20N2OS/c21-17(20-10-6-16-14(12-20)7-11-22-16)19-13-18(8-9-18)15-4-2-1-3-5-15/h1-5,7,11H,6,8-10,12-13H2,(H,19,21)
InChIKeyTTWFQSKKZUVRIE-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.55
Rot. Bonds3

About N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 18144092) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID18144092
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC NameN-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)N1CCc2sccc2C1
InChIInChI=1S/C18H20N2OS/c21-17(20-10-6-16-14(12-20)7-11-22-16)19-13-18(8-9-18)15-4-2-1-3-5-15/h1-5,7,11H,6,8-10,12-13H2,(H,19,21)
InChIKeyTTWFQSKKZUVRIE-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 18144092) is N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(NCC1(c2ccccc2)CC1)N1CCc2sccc2C1.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is TTWFQSKKZUVRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c21-17(20-10-6-16-14(12-20)7-11-22-16)19-13-18(8-9-18)15-4-2-1-3-5-15/h1-5,7,11H,6,8-10,12-13H2,(H,19,21).
What are the key properties of N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 18144092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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