1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea

C12H19N3O — CID 75415056

IUPAC1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
SMILESCCC(C)NC(=O)NC(C)c1ccccn1
InChIInChI=1S/C12H19N3O/c1-4-9(2)14-12(16)15-10(3)11-7-5-6-8-13-11/h5-10H,4H2,1-3H3,(H2,14,15,16)
InChIKeyVNVNGBCISLEPMA-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.24
Rot. Bonds4

About 1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea

1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea (PubChem CID 75415056) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
PubChem CID75415056
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
SMILESCCC(C)NC(=O)NC(C)c1ccccn1
InChIInChI=1S/C12H19N3O/c1-4-9(2)14-12(16)15-10(3)11-7-5-6-8-13-11/h5-10H,4H2,1-3H3,(H2,14,15,16)
InChIKeyVNVNGBCISLEPMA-UHFFFAOYSA-N
XLogP2.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide
CID 94656519
2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61198086
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 97087982
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
(2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 107566198
1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea
CID 47220217
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431867
3-methyl-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61197140
(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide
CID 79024975
3-[(1-pyridin-2-ylethylcarbamoylamino)methyl]pentanoic acid
CID 81069764
3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81402068
1-[(1S)-1-cyclopropylethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 36970118

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea (CID 75415056) is 1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea is CCC(C)NC(=O)NC(C)c1ccccn1.
What is the InChIKey of 1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea?
The InChIKey is VNVNGBCISLEPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-9(2)14-12(16)15-10(3)11-7-5-6-8-13-11/h5-10H,4H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea?
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea has a molecular weight of 221.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 75415056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).