5-chloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide

C15H16ClN3OS — CID 38527813

IUPAC5-chloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)nc1)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClN3OS/c16-13-5-4-12(21-13)15(20)18-10-11-3-6-14(17-9-11)19-7-1-2-8-19/h3-6,9H,1-2,7-8,10H2,(H,18,20)
InChIKeyPRGZUPNXPQTUIY-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.33
Rot. Bonds4

About 5-chloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide

5-chloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 38527813) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 5-chloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID38527813
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name5-chloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)nc1)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClN3OS/c16-13-5-4-12(21-13)15(20)18-10-11-3-6-14(17-9-11)19-7-1-2-8-19/h3-6,9H,1-2,7-8,10H2,(H,18,20)
InChIKeyPRGZUPNXPQTUIY-UHFFFAOYSA-N
XLogP3.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide (CID 38527813) is 5-chloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide is O=C(NCc1ccc(N2CCCC2)nc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is PRGZUPNXPQTUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c16-13-5-4-12(21-13)15(20)18-10-11-3-6-14(17-9-11)19-7-1-2-8-19/h3-6,9H,1-2,7-8,10H2,(H,18,20).
What are the key properties of 5-chloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
5-chloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 321.83 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 38527813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).