N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide

C21H30N4O2 — CID 55635561

IUPACN-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30N4O2/c1-25-18-4-2-3-17(16(18)11-23-25)24-19(26)12-22-20(27)21-8-13-5-14(9-21)7-15(6-13)10-21/h11,13-15,17H,2-10,12H2,1H3,(H,22,27)(H,24,26)
InChIKeyAWEIWMNBOLHGGU-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.25
Rot. Bonds4

About N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 55635561) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID55635561
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30N4O2/c1-25-18-4-2-3-17(16(18)11-23-25)24-19(26)12-22-20(27)21-8-13-5-14(9-21)7-15(6-13)10-21/h11,13-15,17H,2-10,12H2,1H3,(H,22,27)(H,24,26)
InChIKeyAWEIWMNBOLHGGU-UHFFFAOYSA-N
XLogP2.25
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide with MolForge

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Related Compounds

3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
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CID 65464227
N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 55635672
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
2-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569374
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119730410
4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 54925355
2-cyclopentyloxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 71939980
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119730423
6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide
CID 43712066
2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94080097

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide (CID 55635561) is N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide is Cn1ncc2c1CCCC2NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is AWEIWMNBOLHGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-25-18-4-2-3-17(16(18)11-23-25)24-19(26)12-22-20(27)21-8-13-5-14(9-21)7-15(6-13)10-21/h11,13-15,17H,2-10,12H2,1H3,(H,22,27)(H,24,26).
What are the key properties of N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 55635561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).