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

C18H18N4OS — CID 11427729

IUPACN-(1H-indazol-3-yl)-4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1ccsc1C1=CCN(C(=O)Nc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C18H18N4OS/c1-12-8-11-24-16(12)13-6-9-22(10-7-13)18(23)19-17-14-4-2-3-5-15(14)20-21-17/h2-6,8,11H,7,9-10H2,1H3,(H2,19,20,21,23)
InChIKeyXRFIRXVVYSMNAR-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.25
Rot. Bonds2

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

N-(1H-indazol-3-yl)-4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 11427729) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID11427729
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-(1H-indazol-3-yl)-4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1ccsc1C1=CCN(C(=O)Nc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C18H18N4OS/c1-12-8-11-24-16(12)13-6-9-22(10-7-13)18(23)19-17-14-4-2-3-5-15(14)20-21-17/h2-6,8,11H,7,9-10H2,1H3,(H2,19,20,21,23)
InChIKeyXRFIRXVVYSMNAR-UHFFFAOYSA-N
XLogP4.25
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.25
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-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(1H-indazol-3-yl)-4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 11427729) is N-(1H-indazol-3-yl)-4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(1H-indazol-3-yl)-4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(1H-indazol-3-yl)-4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1ccsc1C1=CCN(C(=O)Nc2n[nH]c3ccccc23)CC1.
What is the InChIKey of N-(1H-indazol-3-yl)-4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is XRFIRXVVYSMNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-8-11-24-16(12)13-6-9-22(10-7-13)18(23)19-17-14-4-2-3-5-15(14)20-21-17/h2-6,8,11H,7,9-10H2,1H3,(H2,19,20,21,23).
What are the key properties of N-(1H-indazol-3-yl)-4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(1H-indazol-3-yl)-4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 4.25, 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-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 11427729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).