1-(5-chloro-2-pyridinyl)-3-propylurea

C9H12ClN3O — CID 17276170

IUPAC1-(5-chloro-2-pyridinyl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C9H12ClN3O/c1-2-5-11-9(14)13-8-4-3-7(10)6-12-8/h3-4,6H,2,5H2,1H3,(H2,11,12,13,14)
InChIKeyYZBNWJAXJFZSNH-UHFFFAOYSA-N
MW213.67 g/mol
LogP2.27
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-3-propylurea

1-(5-chloro-2-pyridinyl)-3-propylurea (PubChem CID 17276170) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-propylurea.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-propylurea
PubChem CID17276170
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name1-(5-chloro-2-pyridinyl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C9H12ClN3O/c1-2-5-11-9(14)13-8-4-3-7(10)6-12-8/h3-4,6H,2,5H2,1H3,(H2,11,12,13,14)
InChIKeyYZBNWJAXJFZSNH-UHFFFAOYSA-N
XLogP2.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2-pyridinyl)-3-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883302
1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900168
1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108884029
N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374336
1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea
CID 108898055
1-hexyl-3-(5-methyl-2-pyridinyl)urea
CID 158285971
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide
CID 113308872
1-(5-chloro-2-pyridinyl)-3-ethenylurea
CID 108909366
3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide
CID 59799292
2-amino-N-(5-chloro-2-pyridinyl)butanamide
CID 60779855
N-(5-chloro-2-pyridinyl)-2-(2-propoxyphenoxy)acetamide
CID 34135754
1-[5-(aminomethyl)-2-pyridinyl]-3-butylurea
CID 62354751

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-propylurea?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-propylurea (CID 17276170) is 1-(5-chloro-2-pyridinyl)-3-propylurea.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-propylurea?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-propylurea is CCCNC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-propylurea?
The InChIKey is YZBNWJAXJFZSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-2-5-11-9(14)13-8-4-3-7(10)6-12-8/h3-4,6H,2,5H2,1H3,(H2,11,12,13,14).
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-propylurea?
1-(5-chloro-2-pyridinyl)-3-propylurea has a molecular weight of 213.67 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-3-propylurea is sourced from PubChem (CID 17276170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).