6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide

C18H19N5O2S — CID 91888166

IUPAC6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)C2)cn1
InChIInChI=1S/C18H19N5O2S/c1-25-17-5-4-12(10-19-17)18(24)20-13-6-7-23(11-13)16-9-14(21-22-16)15-3-2-8-26-15/h2-5,8-10,13H,6-7,11H2,1H3,(H,20,24)(H,21,22)
InChIKeyGTECJIUUQLCTEJ-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.55
Rot. Bonds5

About 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide

6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 91888166) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID91888166
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)C2)cn1
InChIInChI=1S/C18H19N5O2S/c1-25-17-5-4-12(10-19-17)18(24)20-13-6-7-23(11-13)16-9-14(21-22-16)15-3-2-8-26-15/h2-5,8-10,13H,6-7,11H2,1H3,(H,20,24)(H,21,22)
InChIKeyGTECJIUUQLCTEJ-UHFFFAOYSA-N
XLogP2.55
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91888122
4-fluoro-N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741667
4-chloro-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741662
3,4-diethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91904916
3-methyl-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741702
4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528390
5-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 91914597
2-ethoxy-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99742178
5-bromo-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 91888124
2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide
CID 99741748
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91914563
6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 91818060

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide (CID 91888166) is 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide is COc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)C2)cn1.
What is the InChIKey of 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is GTECJIUUQLCTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-25-17-5-4-12(10-19-17)18(24)20-13-6-7-23(11-13)16-9-14(21-22-16)15-3-2-8-26-15/h2-5,8-10,13H,6-7,11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide?
6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 91888166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).