N-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide

C16H18N4O2 — CID 4472

IUPACN-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide
SMILESO=C(CCNNC(=O)c1ccncc1)NCc1ccccc1
InChIInChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)
InChIKeyNOIIUHRQUVNIDD-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.02
Rot. Bonds7

About N-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide

N-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide (PubChem CID 4472) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide
PubChem CID4472
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide
SMILESO=C(CCNNC(=O)c1ccncc1)NCc1ccccc1
InChIInChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)
InChIKeyNOIIUHRQUVNIDD-UHFFFAOYSA-N
XLogP1.02
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
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

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Metazide
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3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide?
The IUPAC name of N-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide (CID 4472) is N-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide.
What is the SMILES notation for N-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide?
The canonical SMILES for N-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide is O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide?
The InChIKey is NOIIUHRQUVNIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22).
What are the key properties of N-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide?
N-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide has a molecular weight of 298.35 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide is sourced from PubChem (CID 4472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).