1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea

C11H17N3O2 — CID 47079451

IUPAC1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea
SMILESCCN(CC(C)O)C(=O)Nc1ccncc1
InChIInChI=1S/C11H17N3O2/c1-3-14(8-9(2)15)11(16)13-10-4-6-12-7-5-10/h4-7,9,15H,3,8H2,1-2H3,(H,12,13,16)
InChIKeyYDIBLPPYBUDHKV-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.32
Rot. Bonds4

About 1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea

1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea (PubChem CID 47079451) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea
PubChem CID47079451
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea
SMILESCCN(CC(C)O)C(=O)Nc1ccncc1
InChIInChI=1S/C11H17N3O2/c1-3-14(8-9(2)15)11(16)13-10-4-6-12-7-5-10/h4-7,9,15H,3,8H2,1-2H3,(H,12,13,16)
InChIKeyYDIBLPPYBUDHKV-UHFFFAOYSA-N
XLogP1.32
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea
CID 94777007
1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 51102226
1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94780378
(2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide
CID 94822181
3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea
CID 20788075
2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid
CID 79480744
3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea
CID 17180082
3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62828090
3-(4-bromophenyl)-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108869272
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea
CID 95301553
(2S)-2-hydroxy-N-pyridin-4-ylpropanamide
CID 130695584
1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61438276

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea (CID 47079451) is 1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea is CCN(CC(C)O)C(=O)Nc1ccncc1.
What is the InChIKey of 1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea?
The InChIKey is YDIBLPPYBUDHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-14(8-9(2)15)11(16)13-10-4-6-12-7-5-10/h4-7,9,15H,3,8H2,1-2H3,(H,12,13,16).
What are the key properties of 1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea?
1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea has a molecular weight of 223.28 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-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 47079451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).