N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide

C20H20N4O2 — CID 50898239

IUPACN-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
SMILESCOc1cccc(-n2ncc3c2CCCC3NC(=O)c2ccccn2)c1
InChIInChI=1S/C20H20N4O2/c1-26-15-7-4-6-14(12-15)24-19-10-5-9-17(16(19)13-22-24)23-20(25)18-8-2-3-11-21-18/h2-4,6-8,11-13,17H,5,9-10H2,1H3,(H,23,25)
InChIKeyNIOQZTLWCKSCJX-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.08
Rot. Bonds4

About N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide

N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide (PubChem CID 50898239) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
PubChem CID50898239
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
SMILESCOc1cccc(-n2ncc3c2CCCC3NC(=O)c2ccccn2)c1
InChIInChI=1S/C20H20N4O2/c1-26-15-7-4-6-14(12-15)24-19-10-5-9-17(16(19)13-22-24)23-20(25)18-8-2-3-11-21-18/h2-4,6-8,11-13,17H,5,9-10H2,1H3,(H,23,25)
InChIKeyNIOQZTLWCKSCJX-UHFFFAOYSA-N
XLogP3.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide (CID 50898239) is N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide is COc1cccc(-n2ncc3c2CCCC3NC(=O)c2ccccn2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The InChIKey is NIOQZTLWCKSCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-15-7-4-6-14(12-15)24-19-10-5-9-17(16(19)13-22-24)23-20(25)18-8-2-3-11-21-18/h2-4,6-8,11-13,17H,5,9-10H2,1H3,(H,23,25).
What are the key properties of N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 50898239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).