N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide

C15H20N4O — CID 22933430

IUPACN-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide
SMILESCN1CCCCC(NC(=O)c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C15H20N4O/c1-19-7-3-2-4-13(10-19)17-15(20)11-5-6-14-12(8-11)9-16-18-14/h5-6,8-9,13H,2-4,7,10H2,1H3,(H,16,18)(H,17,20)
InChIKeyANBMELXPNBIJPE-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.78
Rot. Bonds2

About N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide

N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide (PubChem CID 22933430) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide
PubChem CID22933430
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide
SMILESCN1CCCCC(NC(=O)c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C15H20N4O/c1-19-7-3-2-4-13(10-19)17-15(20)11-5-6-14-12(8-11)9-16-18-14/h5-6,8-9,13H,2-4,7,10H2,1H3,(H,16,18)(H,17,20)
InChIKeyANBMELXPNBIJPE-UHFFFAOYSA-N
XLogP1.78
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpiperidin-3-yl)-1H-indazole-6-carboxamide
CID 55133135
N-(1-cyclopentylpiperidin-3-yl)-1H-indazole-5-carboxamide
CID 22933774
N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide
CID 22933593
N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide
CID 67561766
N-[4-(propan-2-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 18447571
N-(1-methylpiperidin-4-yl)-1H-indazole-6-carboxamide
CID 62905083
4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 60810348
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 97056408
N-(3-methylcyclopentyl)-1H-indazole-5-carboxamide
CID 114550169
3-(1H-indazole-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030707
N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide
CID 67562654
N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998661

Frequently Asked Questions

What is the IUPAC name of N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide?
The IUPAC name of N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide (CID 22933430) is N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide is CN1CCCCC(NC(=O)c2ccc3[nH]ncc3c2)C1.
What is the InChIKey of N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide?
The InChIKey is ANBMELXPNBIJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19-7-3-2-4-13(10-19)17-15(20)11-5-6-14-12(8-11)9-16-18-14/h5-6,8-9,13H,2-4,7,10H2,1H3,(H,16,18)(H,17,20).
What are the key properties of N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide?
N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 22933430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).