N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide

C16H21N3O3 — CID 110125701

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCO[C@@H]1CCC[C@@H](N(C)C(=O)c2n[nH]c3ccccc23)[C@H]1O
InChIInChI=1S/C16H21N3O3/c1-19(12-8-5-9-13(22-2)15(12)20)16(21)14-10-6-3-4-7-11(10)17-18-14/h3-4,6-7,12-13,15,20H,5,8-9H2,1-2H3,(H,17,18)/t12-,13-,15-/m1/s1
InChIKeyUGJREIDVHZXSMI-UMVBOHGHSA-N
MW303.36 g/mol
LogP1.56
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 110125701) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID110125701
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCO[C@@H]1CCC[C@@H](N(C)C(=O)c2n[nH]c3ccccc23)[C@H]1O
InChIInChI=1S/C16H21N3O3/c1-19(12-8-5-9-13(22-2)15(12)20)16(21)14-10-6-3-4-7-11(10)17-18-14/h3-4,6-7,12-13,15,20H,5,8-9H2,1-2H3,(H,17,18)/t12-,13-,15-/m1/s1
InChIKeyUGJREIDVHZXSMI-UMVBOHGHSA-N
XLogP1.56
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide
CID 142077122
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CID 11630786
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 110126061
3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide
CID 110125598
N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 106607449
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide
CID 110126014
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N-methylpyrimidine-4-carboxamide
CID 110126055
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110125792
N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-3-carboxamide
CID 78974865
N-methyl-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 64982701
N-(2-amino-1-cyclopropylethyl)-N-methyl-1H-indazole-3-carboxamide
CID 116652054
(1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide (CID 110125701) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide is CO[C@@H]1CCC[C@@H](N(C)C(=O)c2n[nH]c3ccccc23)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is UGJREIDVHZXSMI-UMVBOHGHSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-19(12-8-5-9-13(22-2)15(12)20)16(21)14-10-6-3-4-7-11(10)17-18-14/h3-4,6-7,12-13,15,20H,5,8-9H2,1-2H3,(H,17,18)/t12-,13-,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 110125701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).