1-(2-hydroxypentyl)-3-pyridin-4-ylurea

C11H17N3O2 — CID 111119369

IUPAC1-(2-hydroxypentyl)-3-pyridin-4-ylurea
SMILESCCCC(O)CNC(=O)Nc1ccncc1
InChIInChI=1S/C11H17N3O2/c1-2-3-10(15)8-13-11(16)14-9-4-6-12-7-5-9/h4-7,10,15H,2-3,8H2,1H3,(H2,12,13,14,16)
InChIKeyCVDPFONSNHVVBQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.36
Rot. Bonds5

About 1-(2-hydroxypentyl)-3-pyridin-4-ylurea

1-(2-hydroxypentyl)-3-pyridin-4-ylurea (PubChem CID 111119369) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(2-hydroxypentyl)-3-pyridin-4-ylurea
PubChem CID111119369
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(2-hydroxypentyl)-3-pyridin-4-ylurea
SMILESCCCC(O)CNC(=O)Nc1ccncc1
InChIInChI=1S/C11H17N3O2/c1-2-3-10(15)8-13-11(16)14-9-4-6-12-7-5-9/h4-7,10,15H,2-3,8H2,1H3,(H2,12,13,14,16)
InChIKeyCVDPFONSNHVVBQ-UHFFFAOYSA-N
XLogP1.36
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea
CID 111119363
1-[4-(cyanomethyl)phenyl]-3-(2-hydroxypentyl)urea
CID 111431240
1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea
CID 111474234
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea
CID 111474647
N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide
CID 115623569
3-hydroxy-N-(2-hydroxypentyl)pyridine-4-carboxamide
CID 115744615
1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxypentyl)urea
CID 111431387
1-(2-aminoethyl)-3-pyridin-4-ylurea
CID 82503728
1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea
CID 111431670
1-amino-3-pyridin-4-ylurea
CID 15289585
2-[(pyridin-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65218136
1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
CID 3712236

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypentyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(2-hydroxypentyl)-3-pyridin-4-ylurea (CID 111119369) is 1-(2-hydroxypentyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(2-hydroxypentyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(2-hydroxypentyl)-3-pyridin-4-ylurea is CCCC(O)CNC(=O)Nc1ccncc1.
What is the InChIKey of 1-(2-hydroxypentyl)-3-pyridin-4-ylurea?
The InChIKey is CVDPFONSNHVVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-3-10(15)8-13-11(16)14-9-4-6-12-7-5-9/h4-7,10,15H,2-3,8H2,1H3,(H2,12,13,14,16).
What are the key properties of 1-(2-hydroxypentyl)-3-pyridin-4-ylurea?
1-(2-hydroxypentyl)-3-pyridin-4-ylurea has a molecular weight of 223.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypentyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 111119369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).