1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea

C11H16N4O — CID 48544874

IUPAC1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea
SMILESCC(C)=NNC(=O)NCCc1ccccn1
InChIInChI=1S/C11H16N4O/c1-9(2)14-15-11(16)13-8-6-10-5-3-4-7-12-10/h3-5,7H,6,8H2,1-2H3,(H2,13,15,16)
InChIKeyUHNFSOWVOYGNHP-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.32
Rot. Bonds4

About 1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea

1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea (PubChem CID 48544874) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea
PubChem CID48544874
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea
SMILESCC(C)=NNC(=O)NCCc1ccccn1
InChIInChI=1S/C11H16N4O/c1-9(2)14-15-11(16)13-8-6-10-5-3-4-7-12-10/h3-5,7H,6,8H2,1-2H3,(H2,13,15,16)
InChIKeyUHNFSOWVOYGNHP-UHFFFAOYSA-N
XLogP1.32
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-3-(2-pyridin-2-ylethyl)urea
CID 154775226
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea
CID 91316949
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 79804719
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea (CID 48544874) is 1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea is CC(C)=NNC(=O)NCCc1ccccn1.
What is the InChIKey of 1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is UHNFSOWVOYGNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-9(2)14-15-11(16)13-8-6-10-5-3-4-7-12-10/h3-5,7H,6,8H2,1-2H3,(H2,13,15,16).
What are the key properties of 1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea?
1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 220.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 48544874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).