N-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide

C17H27N5O2 — CID 71920562

IUPACN-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCCNC(=O)CN1CCCN(C(=O)C2CCCc3[nH]ncc32)CC1
InChIInChI=1S/C17H27N5O2/c1-2-18-16(23)12-21-7-4-8-22(10-9-21)17(24)13-5-3-6-15-14(13)11-19-20-15/h11,13H,2-10,12H2,1H3,(H,18,23)(H,19,20)
InChIKeyZDHANSOWZGJGQI-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.50
Rot. Bonds4

About N-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide

N-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 71920562) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide
PubChem CID71920562
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCCNC(=O)CN1CCCN(C(=O)C2CCCc3[nH]ncc32)CC1
InChIInChI=1S/C17H27N5O2/c1-2-18-16(23)12-21-7-4-8-22(10-9-21)17(24)13-5-3-6-15-14(13)11-19-20-15/h11,13H,2-10,12H2,1H3,(H,18,23)(H,19,20)
InChIKeyZDHANSOWZGJGQI-UHFFFAOYSA-N
XLogP0.50
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide (CID 71920562) is N-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide is CCNC(=O)CN1CCCN(C(=O)C2CCCc3[nH]ncc32)CC1.
What is the InChIKey of N-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is ZDHANSOWZGJGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-2-18-16(23)12-21-7-4-8-22(10-9-21)17(24)13-5-3-6-15-14(13)11-19-20-15/h11,13H,2-10,12H2,1H3,(H,18,23)(H,19,20).
What are the key properties of N-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide?
N-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 71920562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).