1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea

C11H17N3O — CID 110748295

IUPAC1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
SMILESCC(C)NC(=O)NC(C)c1ccncc1
InChIInChI=1S/C11H17N3O/c1-8(2)13-11(15)14-9(3)10-4-6-12-7-5-10/h4-9H,1-3H3,(H2,13,14,15)
InChIKeyWYIGFXWSWXIEEO-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.85
Rot. Bonds3

About 1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea

1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea (PubChem CID 110748295) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
PubChem CID110748295
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
SMILESCC(C)NC(=O)NC(C)c1ccncc1
InChIInChI=1S/C11H17N3O/c1-8(2)13-11(15)14-9(3)10-4-6-12-7-5-10/h4-9H,1-3H3,(H2,13,14,15)
InChIKeyWYIGFXWSWXIEEO-UHFFFAOYSA-N
XLogP1.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
1-(2,2-dimethylpropyl)-3-(1-pyridin-4-ylethyl)urea
CID 110748297
2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid
CID 61197706
3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 61198838
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 82110375
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 29039496
(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 81410169
1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95130503
1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 40637085
1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 45147279

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea (CID 110748295) is 1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea is CC(C)NC(=O)NC(C)c1ccncc1.
What is the InChIKey of 1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is WYIGFXWSWXIEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)13-11(15)14-9(3)10-4-6-12-7-5-10/h4-9H,1-3H3,(H2,13,14,15).
What are the key properties of 1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea?
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 207.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 110748295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).