N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide

C16H22N4O — CID 115308660

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide
SMILESCC1CCCCC1(CN)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H22N4O/c1-11-4-2-3-7-16(11,10-17)19-15(21)12-5-6-13-9-18-20-14(13)8-12/h5-6,8-9,11H,2-4,7,10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyKVWBRKOSGURWSL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.20
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide (PubChem CID 115308660) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide
PubChem CID115308660
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide
SMILESCC1CCCCC1(CN)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H22N4O/c1-11-4-2-3-7-16(11,10-17)19-15(21)12-5-6-13-9-18-20-14(13)8-12/h5-6,8-9,11H,2-4,7,10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyKVWBRKOSGURWSL-UHFFFAOYSA-N
XLogP2.20
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide (CID 115308660) is N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide is CC1CCCCC1(CN)NC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide?
The InChIKey is KVWBRKOSGURWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-4-2-3-7-16(11,10-17)19-15(21)12-5-6-13-9-18-20-14(13)8-12/h5-6,8-9,11H,2-4,7,10,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 115308660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).