N-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide

C20H19N5O — CID 166431465

IUPACN-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide
SMILESCc1cc2c(NC(=O)c3ccc4c(c3)CNCCC4)n[nH]c2cc1C#N
InChIInChI=1S/C20H19N5O/c1-12-7-17-18(9-15(12)10-21)24-25-19(17)23-20(26)14-5-4-13-3-2-6-22-11-16(13)8-14/h4-5,7-9,22H,2-3,6,11H2,1H3,(H2,23,24,25,26)
InChIKeyYSNVTVMEHZRGJM-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.03
Rot. Bonds2

About N-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide

N-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide (PubChem CID 166431465) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide.

Molecular Properties

Compound NameN-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide
PubChem CID166431465
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide
SMILESCc1cc2c(NC(=O)c3ccc4c(c3)CNCCC4)n[nH]c2cc1C#N
InChIInChI=1S/C20H19N5O/c1-12-7-17-18(9-15(12)10-21)24-25-19(17)23-20(26)14-5-4-13-3-2-6-22-11-16(13)8-14/h4-5,7-9,22H,2-3,6,11H2,1H3,(H2,23,24,25,26)
InChIKeyYSNVTVMEHZRGJM-UHFFFAOYSA-N
XLogP3.03
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide with MolForge

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Related Compounds

N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-piperidin-3-ylpyrazole-3-carboxamide
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N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
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trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
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N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide
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N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
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N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
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N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
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(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide?
The IUPAC name of N-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide (CID 166431465) is N-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide.
What is the SMILES notation for N-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide?
The canonical SMILES for N-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide is Cc1cc2c(NC(=O)c3ccc4c(c3)CNCCC4)n[nH]c2cc1C#N.
What is the InChIKey of N-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide?
The InChIKey is YSNVTVMEHZRGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-12-7-17-18(9-15(12)10-21)24-25-19(17)23-20(26)14-5-4-13-3-2-6-22-11-16(13)8-14/h4-5,7-9,22H,2-3,6,11H2,1H3,(H2,23,24,25,26).
What are the key properties of N-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide?
N-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide is sourced from PubChem (CID 166431465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).