N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide

C16H23N5O — CID 10859597

IUPACN-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide
SMILESCCN1CCN(C)CC(NC(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C16H23N5O/c1-3-21-9-8-20(2)10-12(11-21)17-16(22)15-13-6-4-5-7-14(13)18-19-15/h4-7,12H,3,8-11H2,1-2H3,(H,17,22)(H,18,19)
InChIKeyNACFTHCDWDMEDV-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.93
Rot. Bonds3

About N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide

N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide (PubChem CID 10859597) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide
PubChem CID10859597
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide
SMILESCCN1CCN(C)CC(NC(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C16H23N5O/c1-3-21-9-8-20(2)10-12(11-21)17-16(22)15-13-6-4-5-7-14(13)18-19-15/h4-7,12H,3,8-11H2,1-2H3,(H,17,22)(H,18,19)
InChIKeyNACFTHCDWDMEDV-UHFFFAOYSA-N
XLogP0.93
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide (CID 10859597) is N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide is CCN1CCN(C)CC(NC(=O)c2n[nH]c3ccccc23)C1.
What is the InChIKey of N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide?
The InChIKey is NACFTHCDWDMEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-3-21-9-8-20(2)10-12(11-21)17-16(22)15-13-6-4-5-7-14(13)18-19-15/h4-7,12H,3,8-11H2,1-2H3,(H,17,22)(H,18,19).
What are the key properties of N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide?
N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 10859597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).