1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea

C10H12N4O2 — CID 23300028

IUPAC1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea
SMILESC=CCNC(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C10H12N4O2/c1-2-5-12-10(16)14-13-9(15)8-4-3-6-11-7-8/h2-4,6-7H,1,5H2,(H,13,15)(H2,12,14,16)
InChIKeyLFUSREYVWZFHME-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.21
Rot. Bonds3

About 1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea

1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea (PubChem CID 23300028) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea.

Molecular Properties

Compound Name1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea
PubChem CID23300028
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea
SMILESC=CCNC(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C10H12N4O2/c1-2-5-12-10(16)14-13-9(15)8-4-3-6-11-7-8/h2-4,6-7H,1,5H2,(H,13,15)(H2,12,14,16)
InChIKeyLFUSREYVWZFHME-UHFFFAOYSA-N
XLogP0.21
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl N-[2-(pyridine-3-carbonylamino)ethyl]carbamate
CID 108570449
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
N-(prop-2-enylideneamino)pyridine-3-carboxamide
CID 4591479
1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea
CID 972166
1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea
CID 1225748
4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 35151089
N'-decanoylpyridine-3-carbohydrazide
CID 132992060
N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 32688575
N'-dodecanoylpyridine-3-carbohydrazide
CID 171977470
2-methyl-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 51163103
N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide
CID 35152458
N-prop-2-enyl-3-pyridin-3-ylpropanamide
CID 60667734

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea?
The IUPAC name of 1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea (CID 23300028) is 1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea.
What is the SMILES notation for 1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea?
The canonical SMILES for 1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea is C=CCNC(=O)NNC(=O)c1cccnc1.
What is the InChIKey of 1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea?
The InChIKey is LFUSREYVWZFHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-2-5-12-10(16)14-13-9(15)8-4-3-6-11-7-8/h2-4,6-7H,1,5H2,(H,13,15)(H2,12,14,16).
What are the key properties of 1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea?
1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea has a molecular weight of 220.23 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea is sourced from PubChem (CID 23300028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).