4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride

C17H21ClN4O2 — CID 172619042

IUPAC4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride
SMILESCCCCCc1ccnc(C(=O)NNC(=O)c2ccncc2)c1.Cl
InChIInChI=1S/C17H20N4O2.ClH/c1-2-3-4-5-13-6-11-19-15(12-13)17(23)21-20-16(22)14-7-9-18-10-8-14;/h6-12H,2-5H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyYHDVHCYUNLPBNX-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.71
Rot. Bonds6

About 4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride

4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride (PubChem CID 172619042) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride
PubChem CID172619042
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride
SMILESCCCCCc1ccnc(C(=O)NNC(=O)c2ccncc2)c1.Cl
InChIInChI=1S/C17H20N4O2.ClH/c1-2-3-4-5-13-6-11-19-15(12-13)17(23)21-20-16(22)14-7-9-18-10-8-14;/h6-12H,2-5H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyYHDVHCYUNLPBNX-UHFFFAOYSA-N
XLogP2.71
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-docosylpyridine-2-carboxylic acid
CID 174759337
1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea
CID 86577325
N'-(2-aminopyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide
CID 172619090
4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride
CID 172619074
N'-tetradecanoylpyridine-4-carbohydrazide
CID 54792198
N'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide
CID 172618935
4-N-methyl-2-N-pentyl-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088220
N'-undecylpyridine-4-carbohydrazide
CID 27387
1-hexyl-3-(pyridine-4-carbonylamino)urea
CID 24975112
1-heptyl-3-(pyridine-4-carbonylamino)urea
CID 86577414
4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide
CID 10270453
N-pentylpyridine-4-carboxamide
CID 2307296

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride?
The IUPAC name of 4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride (CID 172619042) is 4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride.
What is the SMILES notation for 4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride?
The canonical SMILES for 4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride is CCCCCc1ccnc(C(=O)NNC(=O)c2ccncc2)c1.Cl.
What is the InChIKey of 4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride?
The InChIKey is YHDVHCYUNLPBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2.ClH/c1-2-3-4-5-13-6-11-19-15(12-13)17(23)21-20-16(22)14-7-9-18-10-8-14;/h6-12H,2-5H2,1H3,(H,20,22)(H,21,23);1H.
What are the key properties of 4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride?
4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride is sourced from PubChem (CID 172619042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).