2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide

C17H29N3O2 — CID 42631177

IUPAC2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide
SMILESCCCCC(CCCC)NNC(=O)c1cccnc1OCC
InChIInChI=1S/C17H29N3O2/c1-4-7-10-14(11-8-5-2)19-20-16(21)15-12-9-13-18-17(15)22-6-3/h9,12-14,19H,4-8,10-11H2,1-3H3,(H,20,21)
InChIKeyLYQHUJXIJVKMSH-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.46
Rot. Bonds11

About 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide

2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide (PubChem CID 42631177) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide
PubChem CID42631177
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide
SMILESCCCCC(CCCC)NNC(=O)c1cccnc1OCC
InChIInChI=1S/C17H29N3O2/c1-4-7-10-14(11-8-5-2)19-20-16(21)15-12-9-13-18-17(15)22-6-3/h9,12-14,19H,4-8,10-11H2,1-3H3,(H,20,21)
InChIKeyLYQHUJXIJVKMSH-UHFFFAOYSA-N
XLogP3.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxy-3-pyridinyl)hexan-1-one
CID 86237866
3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid
CID 119221242
N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide
CID 31598186
methyl 2-[(2-ethoxypyridine-3-carbonyl)amino]acetate
CID 27682250
(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid
CID 107144610
2-ethoxy-N-pyridin-3-ylpyridine-3-carboxamide
CID 23876862
(2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid
CID 120615249
4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 75446980
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
CID 42007122
2-ethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carbohydrazide
CID 2417273
N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide
CID 7936129

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide?
The IUPAC name of 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide (CID 42631177) is 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide.
What is the SMILES notation for 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide?
The canonical SMILES for 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide is CCCCC(CCCC)NNC(=O)c1cccnc1OCC.
What is the InChIKey of 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide?
The InChIKey is LYQHUJXIJVKMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-4-7-10-14(11-8-5-2)19-20-16(21)15-12-9-13-18-17(15)22-6-3/h9,12-14,19H,4-8,10-11H2,1-3H3,(H,20,21).
What are the key properties of 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide?
2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide has a molecular weight of 307.44 g/mol, XLogP of 3.46, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide is sourced from PubChem (CID 42631177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).