N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C18H28N4O2 — CID 131963475

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCCN(CC(=O)N1CCCCCC1)C(=O)C1CCCc2[nH]ncc21
InChIInChI=1S/C18H28N4O2/c1-2-21(13-17(23)22-10-5-3-4-6-11-22)18(24)14-8-7-9-16-15(14)12-19-20-16/h12,14H,2-11,13H2,1H3,(H,19,20)
InChIKeyLJUAKGICEYTWLJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.08
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 131963475) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID131963475
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCCN(CC(=O)N1CCCCCC1)C(=O)C1CCCc2[nH]ncc21
InChIInChI=1S/C18H28N4O2/c1-2-21(13-17(23)22-10-5-3-4-6-11-22)18(24)14-8-7-9-16-15(14)12-19-20-16/h12,14H,2-11,13H2,1H3,(H,19,20)
InChIKeyLJUAKGICEYTWLJ-UHFFFAOYSA-N
XLogP2.08
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide with MolForge

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Related Compounds

N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide
CID 97223994
2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]azepin-3-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 155961845
N-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 136533598
piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride
CID 119402457
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 166254151
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 138999191
(4S)-N-methyl-N-[(2-prop-2-ynoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 97224000
N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide
CID 74232620
4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one
CID 114393085
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 131963475) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is CCN(CC(=O)N1CCCCCC1)C(=O)C1CCCc2[nH]ncc21.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is LJUAKGICEYTWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-21(13-17(23)22-10-5-3-4-6-11-22)18(24)14-8-7-9-16-15(14)12-19-20-16/h12,14H,2-11,13H2,1H3,(H,19,20).
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 131963475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).