N-[4-[(3R)-pyrrolidin-3-yl]phenyl]thieno[2,3-c]pyridine-7-carboxamide;hydrochloride

C18H18ClN3OS — CID 175718298

IUPACN-[4-[(3R)-pyrrolidin-3-yl]phenyl]thieno[2,3-c]pyridine-7-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@H]2CCNC2)cc1)c1nccc2ccsc12
InChIInChI=1S/C18H17N3OS.ClH/c22-18(16-17-13(6-9-20-16)7-10-23-17)21-15-3-1-12(2-4-15)14-5-8-19-11-14;/h1-4,6-7,9-10,14,19H,5,8,11H2,(H,21,22);1H/t14-;/m0./s1
InChIKeySRMVQBCXLSPFJB-UQKRIMTDSA-N
MW359.88 g/mol
LogP4.05
Rot. Bonds3

About N-[4-[(3R)-pyrrolidin-3-yl]phenyl]thieno[2,3-c]pyridine-7-carboxamide;hydrochloride

N-[4-[(3R)-pyrrolidin-3-yl]phenyl]thieno[2,3-c]pyridine-7-carboxamide;hydrochloride (PubChem CID 175718298) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is N-[4-[(3R)-pyrrolidin-3-yl]phenyl]thieno[2,3-c]pyridine-7-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(3R)-pyrrolidin-3-yl]phenyl]thieno[2,3-c]pyridine-7-carboxamide;hydrochloride
PubChem CID175718298
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC NameN-[4-[(3R)-pyrrolidin-3-yl]phenyl]thieno[2,3-c]pyridine-7-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@H]2CCNC2)cc1)c1nccc2ccsc12
InChIInChI=1S/C18H17N3OS.ClH/c22-18(16-17-13(6-9-20-16)7-10-23-17)21-15-3-1-12(2-4-15)14-5-8-19-11-14;/h1-4,6-7,9-10,14,19H,5,8,11H2,(H,21,22);1H/t14-;/m0./s1
InChIKeySRMVQBCXLSPFJB-UQKRIMTDSA-N
XLogP4.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-pyrrolidin-3-yl]phenyl]thieno[2,3-c]pyridine-7-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(3R)-pyrrolidin-3-yl]phenyl]thieno[2,3-c]pyridine-7-carboxamide;hydrochloride (CID 175718298) is N-[4-[(3R)-pyrrolidin-3-yl]phenyl]thieno[2,3-c]pyridine-7-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(3R)-pyrrolidin-3-yl]phenyl]thieno[2,3-c]pyridine-7-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(3R)-pyrrolidin-3-yl]phenyl]thieno[2,3-c]pyridine-7-carboxamide;hydrochloride is Cl.O=C(Nc1ccc([C@H]2CCNC2)cc1)c1nccc2ccsc12.
What is the InChIKey of N-[4-[(3R)-pyrrolidin-3-yl]phenyl]thieno[2,3-c]pyridine-7-carboxamide;hydrochloride?
The InChIKey is SRMVQBCXLSPFJB-UQKRIMTDSA-N. The full InChI is InChI=1S/C18H17N3OS.ClH/c22-18(16-17-13(6-9-20-16)7-10-23-17)21-15-3-1-12(2-4-15)14-5-8-19-11-14;/h1-4,6-7,9-10,14,19H,5,8,11H2,(H,21,22);1H/t14-;/m0./s1.
What are the key properties of N-[4-[(3R)-pyrrolidin-3-yl]phenyl]thieno[2,3-c]pyridine-7-carboxamide;hydrochloride?
N-[4-[(3R)-pyrrolidin-3-yl]phenyl]thieno[2,3-c]pyridine-7-carboxamide;hydrochloride has a molecular weight of 359.88 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-pyrrolidin-3-yl]phenyl]thieno[2,3-c]pyridine-7-carboxamide;hydrochloride is sourced from PubChem (CID 175718298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).