5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide

C22H21N5O2 — CID 155482317

IUPAC5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide
SMILESCc1c(C#N)cnc(C(=O)Nc2ccc3n[nH]c(C=C4CCOCC4)c3c2)c1C
InChIInChI=1S/C22H21N5O2/c1-13-14(2)21(24-12-16(13)11-23)22(28)25-17-3-4-19-18(10-17)20(27-26-19)9-15-5-7-29-8-6-15/h3-4,9-10,12H,5-8H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyIDQXGYLTMXZVNX-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.89
Rot. Bonds3

About 5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide

5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide (PubChem CID 155482317) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide
PubChem CID155482317
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide
SMILESCc1c(C#N)cnc(C(=O)Nc2ccc3n[nH]c(C=C4CCOCC4)c3c2)c1C
InChIInChI=1S/C22H21N5O2/c1-13-14(2)21(24-12-16(13)11-23)22(28)25-17-3-4-19-18(10-17)20(27-26-19)9-15-5-7-29-8-6-15/h3-4,9-10,12H,5-8H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyIDQXGYLTMXZVNX-UHFFFAOYSA-N
XLogP3.89
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-2H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide
CID 155482160
5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide
CID 155482385
5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide
CID 167611840
5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167683172
5-cyano-4-methoxy-3-methyl-N-[3-(1,2-oxazol-4-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482655
N-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482666
N-[4-amino-3-[(E)-4,4,4-trifluorobut-2-enimidoyl]phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155574887
5-cyano-N-[3-(cyclopropanecarboximidoyl)-4-(iodophosphanylamino)phenyl]-3,4-dimethylpyridine-2-carboxamide
CID 155482749
N-[4-amino-3-[(E)-3-cyclopropylprop-2-enimidoyl]phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155481752
N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482169
4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
CID 167691136
5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155481972

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide (CID 155482317) is 5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide is Cc1c(C#N)cnc(C(=O)Nc2ccc3n[nH]c(C=C4CCOCC4)c3c2)c1C.
What is the InChIKey of 5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is IDQXGYLTMXZVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-13-14(2)21(24-12-16(13)11-23)22(28)25-17-3-4-19-18(10-17)20(27-26-19)9-15-5-7-29-8-6-15/h3-4,9-10,12H,5-8H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide?
5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155482317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).