N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide

C14H18N4O — CID 93452695

IUPACN-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H18N4O/c15-10-6-2-4-8-12(10)16-14(19)13-9-5-1-3-7-11(9)17-18-13/h1,3,5,7,10,12H,2,4,6,8,15H2,(H,16,19)(H,17,18)/t10-,12-/m1/s1
InChIKeyGIGOVPDMOALDQU-ZYHUDNBSSA-N
MW258.32 g/mol
LogP1.56
Rot. Bonds2

About N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide

N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide (PubChem CID 93452695) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide
PubChem CID93452695
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H18N4O/c15-10-6-2-4-8-12(10)16-14(19)13-9-5-1-3-7-11(9)17-18-13/h1,3,5,7,10,12H,2,4,6,8,15H2,(H,16,19)(H,17,18)/t10-,12-/m1/s1
InChIKeyGIGOVPDMOALDQU-ZYHUDNBSSA-N
XLogP1.56
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 113246079
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N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
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N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride
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CID 4787464
N-(oxan-3-yl)-1H-indazole-3-carboxamide
CID 63611564
N-(2,2-dimethylcyclopentyl)-1H-indazole-3-carboxamide
CID 79833072
N-(thiolan-3-yl)-1H-indazole-3-carboxamide
CID 103708716
5-amino-N-(2-methylcyclohexyl)-1H-indazole-3-carboxamide
CID 60906370
N-[(1S,2R)-2-aminocyclohexyl]benzamide
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CID 15151853

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide (CID 93452695) is N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide is N[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide?
The InChIKey is GIGOVPDMOALDQU-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H18N4O/c15-10-6-2-4-8-12(10)16-14(19)13-9-5-1-3-7-11(9)17-18-13/h1,3,5,7,10,12H,2,4,6,8,15H2,(H,16,19)(H,17,18)/t10-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide?
N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 93452695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).