5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide

C21H16N6O — CID 155482063

IUPAC5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide
SMILESCc1ccc(-c2n[nH]c3ccc(NC(=O)c4ncc(C#N)cc4C)cc23)cn1
InChIInChI=1S/C21H16N6O/c1-12-7-14(9-22)10-24-19(12)21(28)25-16-5-6-18-17(8-16)20(27-26-18)15-4-3-13(2)23-11-15/h3-8,10-11H,1-2H3,(H,25,28)(H,26,27)
InChIKeyNEHCRXKHQXFUBJ-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.76
Rot. Bonds3

About 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide

5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide (PubChem CID 155482063) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide
PubChem CID155482063
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide
SMILESCc1ccc(-c2n[nH]c3ccc(NC(=O)c4ncc(C#N)cc4C)cc23)cn1
InChIInChI=1S/C21H16N6O/c1-12-7-14(9-22)10-24-19(12)21(28)25-16-5-6-18-17(8-16)20(27-26-18)15-4-3-13(2)23-11-15/h3-8,10-11H,1-2H3,(H,25,28)(H,26,27)
InChIKeyNEHCRXKHQXFUBJ-UHFFFAOYSA-N
XLogP3.76
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 155481975
5-cyano-3-methyl-N-[3-(6-methyl-2-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482546
5-cyano-3-methyl-N-[3-(5-methylfuran-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482541
5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482398
5-cyano-N-[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 155482313
5-cyano-3-methyl-N-[3-(5-methyl-1,2-oxazol-4-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482456
5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155481972
3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482100
5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 155482198
4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide
CID 155481755
6-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-4-methylpyridazine-3-carboxamide
CID 155482407
6-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 155482133

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide (CID 155482063) is 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide is Cc1ccc(-c2n[nH]c3ccc(NC(=O)c4ncc(C#N)cc4C)cc23)cn1.
What is the InChIKey of 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is NEHCRXKHQXFUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c1-12-7-14(9-22)10-24-19(12)21(28)25-16-5-6-18-17(8-16)20(27-26-18)15-4-3-13(2)23-11-15/h3-8,10-11H,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide?
5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155482063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).