N-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]pyridine-3-carboxamide

C14H16N4OS — CID 75617091

IUPACN-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(C2CC(NC(=O)c3cccnc3)NN2)s1
InChIInChI=1S/C14H16N4OS/c1-9-4-5-12(20-9)11-7-13(18-17-11)16-14(19)10-3-2-6-15-8-10/h2-6,8,11,13,17-18H,7H2,1H3,(H,16,19)
InChIKeyZAUNUBHUGGQVNA-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.75
Rot. Bonds3

About N-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]pyridine-3-carboxamide

N-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]pyridine-3-carboxamide (PubChem CID 75617091) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]pyridine-3-carboxamide
PubChem CID75617091
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(C2CC(NC(=O)c3cccnc3)NN2)s1
InChIInChI=1S/C14H16N4OS/c1-9-4-5-12(20-9)11-7-13(18-17-11)16-14(19)10-3-2-6-15-8-10/h2-6,8,11,13,17-18H,7H2,1H3,(H,16,19)
InChIKeyZAUNUBHUGGQVNA-UHFFFAOYSA-N
XLogP1.75
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]pyridine-3-carboxamide (CID 75617091) is N-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]pyridine-3-carboxamide is Cc1ccc(C2CC(NC(=O)c3cccnc3)NN2)s1.
What is the InChIKey of N-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is ZAUNUBHUGGQVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-9-4-5-12(20-9)11-7-13(18-17-11)16-14(19)10-3-2-6-15-8-10/h2-6,8,11,13,17-18H,7H2,1H3,(H,16,19).
What are the key properties of N-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]pyridine-3-carboxamide?
N-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 75617091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).