N-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide

C22H29N3O2 — CID 11958686

IUPACN-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide
SMILESCCn1nc2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)ccc2c1OC
InChIInChI=1S/C22H29N3O2/c1-3-25-21(27-2)18-5-4-17(9-19(18)24-25)20(26)23-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,14-16H,3,6-8,10-13H2,1-2H3,(H,23,26)
InChIKeyMDTLAHMQZNZXSI-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.01
Rot. Bonds5

About N-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide

N-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide (PubChem CID 11958686) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide
PubChem CID11958686
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide
SMILESCCn1nc2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)ccc2c1OC
InChIInChI=1S/C22H29N3O2/c1-3-25-21(27-2)18-5-4-17(9-19(18)24-25)20(26)23-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,14-16H,3,6-8,10-13H2,1-2H3,(H,23,26)
InChIKeyMDTLAHMQZNZXSI-UHFFFAOYSA-N
XLogP4.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide (CID 11958686) is N-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide is CCn1nc2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)ccc2c1OC.
What is the InChIKey of N-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide?
The InChIKey is MDTLAHMQZNZXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-25-21(27-2)18-5-4-17(9-19(18)24-25)20(26)23-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,14-16H,3,6-8,10-13H2,1-2H3,(H,23,26).
What are the key properties of N-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide?
N-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide is sourced from PubChem (CID 11958686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).