N'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide

C18H22N4O3 — CID 172618935

IUPACN'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide
SMILESCCCCCc1ccc(C(=O)NNC(=O)c2ccnc(OC)c2)nc1
InChIInChI=1S/C18H22N4O3/c1-3-4-5-6-13-7-8-15(20-12-13)18(24)22-21-17(23)14-9-10-19-16(11-14)25-2/h7-12H,3-6H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySMOUIFVAFUQACJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.29
Rot. Bonds7

About N'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide

N'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide (PubChem CID 172618935) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide
PubChem CID172618935
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide
SMILESCCCCCc1ccc(C(=O)NNC(=O)c2ccnc(OC)c2)nc1
InChIInChI=1S/C18H22N4O3/c1-3-4-5-6-13-7-8-15(20-12-13)18(24)22-21-17(23)14-9-10-19-16(11-14)25-2/h7-12H,3-6H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySMOUIFVAFUQACJ-UHFFFAOYSA-N
XLogP2.29
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-(2-aminopyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide
CID 172619090
N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
CID 172619079
5-pentyl-N'-phenylpyridine-2-carbohydrazide
CID 172618878
4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride
CID 172619042
2-methoxy-N-(2-phenylethyl)pyridine-4-carboxamide
CID 84580463
2-[(2-methoxypyridine-4-carbonyl)amino]acetic acid
CID 170946630
2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride
CID 172618946
bis(5-butylpyridine-2-carboxylic acid);copper(1+)
CID 42613105
tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
5-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 104641230
3-(5-butyl-2-pyridinyl)-3-oxopropanoic acid
CID 66692091
5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
CID 63524951

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide?
The IUPAC name of N'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide (CID 172618935) is N'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide.
What is the SMILES notation for N'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide?
The canonical SMILES for N'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide is CCCCCc1ccc(C(=O)NNC(=O)c2ccnc(OC)c2)nc1.
What is the InChIKey of N'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide?
The InChIKey is SMOUIFVAFUQACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-4-5-6-13-7-8-15(20-12-13)18(24)22-21-17(23)14-9-10-19-16(11-14)25-2/h7-12H,3-6H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide?
N'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide has a molecular weight of 342.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxypyridine-4-carbonyl)-5-pentylpyridine-2-carbohydrazide is sourced from PubChem (CID 172618935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).