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

C12H18N4O2 — CID 27388

IUPACN-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide
SMILESCCCNC(=O)CCNNC(=O)c1ccncc1
InChIInChI=1S/C12H18N4O2/c1-2-6-14-11(17)5-9-15-16-12(18)10-3-7-13-8-4-10/h3-4,7-8,15H,2,5-6,9H2,1H3,(H,14,17)(H,16,18)
InChIKeyIWHYRFYSOIKFSE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.23
Rot. Bonds7

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

N-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide (PubChem CID 27388) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide.

Molecular Properties

Compound NameN-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide
PubChem CID27388
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide
SMILESCCCNC(=O)CCNNC(=O)c1ccncc1
InChIInChI=1S/C12H18N4O2/c1-2-6-14-11(17)5-9-15-16-12(18)10-3-7-13-8-4-10/h3-4,7-8,15H,2,5-6,9H2,1H3,(H,14,17)(H,16,18)
InChIKeyIWHYRFYSOIKFSE-UHFFFAOYSA-N
XLogP0.23
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.23
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

N'-[3-(2-methylhydrazinyl)-3-oxopropyl]pyridine-4-carbohydrazide
CID 134098184
N'-undecylpyridine-4-carbohydrazide
CID 27387
N'-[(E)-pent-3-enyl]pyridine-4-carbohydrazide
CID 6474921
1-hexyl-3-(pyridine-4-carbonylamino)urea
CID 24975112
1-heptyl-3-(pyridine-4-carbonylamino)urea
CID 86577414
N'-tetradecanoylpyridine-4-carbohydrazide
CID 54792198
N-butylpyridine-4-carboxamide
CID 5030535
N-pentylpyridine-4-carboxamide
CID 2307296
3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 115646395
N-hexylpyridine-4-carboxamide
CID 3423732
N-butyl-3-(pyridin-4-ylamino)propanamide
CID 129043658
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide?
The IUPAC name of N-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide (CID 27388) is N-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide.
What is the SMILES notation for N-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide?
The canonical SMILES for N-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide is CCCNC(=O)CCNNC(=O)c1ccncc1.
What is the InChIKey of N-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide?
The InChIKey is IWHYRFYSOIKFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-6-14-11(17)5-9-15-16-12(18)10-3-7-13-8-4-10/h3-4,7-8,15H,2,5-6,9H2,1H3,(H,14,17)(H,16,18).
What are the key properties of N-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide?
N-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide is sourced from PubChem (CID 27388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).