1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea

C10H12ClN3O2 — CID 108895086

IUPAC1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea
SMILESCC(=O)CCNC(=O)Nc1cccnc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-7(15)4-6-13-10(16)14-8-3-2-5-12-9(8)11/h2-3,5H,4,6H2,1H3,(H2,13,14,16)
InChIKeyCHOYQVNKIGMKAJ-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.84
Rot. Bonds4

About 1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea

1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea (PubChem CID 108895086) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea
PubChem CID108895086
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea
SMILESCC(=O)CCNC(=O)Nc1cccnc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-7(15)4-6-13-10(16)14-8-3-2-5-12-9(8)11/h2-3,5H,4,6H2,1H3,(H2,13,14,16)
InChIKeyCHOYQVNKIGMKAJ-UHFFFAOYSA-N
XLogP1.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-3-pyridinyl)-3-(3-hydroxy-4-methylpentyl)urea
CID 111486854
1-[(4-chlorophenyl)methyl]-3-(2-chloro-3-pyridinyl)urea
CID 47400753
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
1-(2-chloro-3-pyridinyl)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 48805192
1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea
CID 108882793
N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 60853808
1-(2-chloro-3-pyridinyl)-3-[(2-fluorophenyl)methyl]urea
CID 47400847
1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 60590220
1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea
CID 108902883
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea (CID 108895086) is 1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea is CC(=O)CCNC(=O)Nc1cccnc1Cl.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea?
The InChIKey is CHOYQVNKIGMKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-7(15)4-6-13-10(16)14-8-3-2-5-12-9(8)11/h2-3,5H,4,6H2,1H3,(H2,13,14,16).
What are the key properties of 1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea?
1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea has a molecular weight of 241.68 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea is sourced from PubChem (CID 108895086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).