N-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide

C17H16N4OS — CID 11267302

IUPACN-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CC=C(c2cccs2)CC1
InChIInChI=1S/C17H16N4OS/c22-17(18-16-13-4-1-2-5-14(13)19-20-16)21-9-7-12(8-10-21)15-6-3-11-23-15/h1-7,11H,8-10H2,(H2,18,19,20,22)
InChIKeyKAKBRLPCEIVWSI-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.95
Rot. Bonds2

About N-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide

N-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 11267302) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID11267302
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CC=C(c2cccs2)CC1
InChIInChI=1S/C17H16N4OS/c22-17(18-16-13-4-1-2-5-14(13)19-20-16)21-9-7-12(8-10-21)15-6-3-11-23-15/h1-7,11H,8-10H2,(H2,18,19,20,22)
InChIKeyKAKBRLPCEIVWSI-UHFFFAOYSA-N
XLogP3.95
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 11267302) is N-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CC=C(c2cccs2)CC1.
What is the InChIKey of N-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is KAKBRLPCEIVWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-17(18-16-13-4-1-2-5-14(13)19-20-16)21-9-7-12(8-10-21)15-6-3-11-23-15/h1-7,11H,8-10H2,(H2,18,19,20,22).
What are the key properties of N-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 11267302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).