N-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide

C17H18N4O2 — CID 2225990

IUPACN-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide
SMILESC=C(CC(=O)Nc1ccccc1C)NNC(=O)c1ccncc1
InChIInChI=1S/C17H18N4O2/c1-12-5-3-4-6-15(12)19-16(22)11-13(2)20-21-17(23)14-7-9-18-10-8-14/h3-10,20H,2,11H2,1H3,(H,19,22)(H,21,23)
InChIKeyQBCMWBOXPZBNBQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.17
Rot. Bonds6

About N-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide

N-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide (PubChem CID 2225990) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide
PubChem CID2225990
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide
SMILESC=C(CC(=O)Nc1ccccc1C)NNC(=O)c1ccncc1
InChIInChI=1S/C17H18N4O2/c1-12-5-3-4-6-15(12)19-16(22)11-13(2)20-21-17(23)14-7-9-18-10-8-14/h3-10,20H,2,11H2,1H3,(H,19,22)(H,21,23)
InChIKeyQBCMWBOXPZBNBQ-UHFFFAOYSA-N
XLogP2.17
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide
CID 4572466
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide
CID 115745529
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
3-N-(2-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055185
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide?
The IUPAC name of N-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide (CID 2225990) is N-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide.
What is the SMILES notation for N-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide?
The canonical SMILES for N-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide is C=C(CC(=O)Nc1ccccc1C)NNC(=O)c1ccncc1.
What is the InChIKey of N-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide?
The InChIKey is QBCMWBOXPZBNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-5-3-4-6-15(12)19-16(22)11-13(2)20-21-17(23)14-7-9-18-10-8-14/h3-10,20H,2,11H2,1H3,(H,19,22)(H,21,23).
What are the key properties of N-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide?
N-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide has a molecular weight of 310.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide is sourced from PubChem (CID 2225990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).