1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea

C10H14ClN3O — CID 14625226

IUPAC1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C10H14ClN3O/c1-7(2)6-13-10(15)14-8-3-4-12-9(11)5-8/h3-5,7H,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyDJSZQNZTOJDUOJ-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.51
Rot. Bonds3

About 1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea

1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea (PubChem CID 14625226) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea
PubChem CID14625226
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C10H14ClN3O/c1-7(2)6-13-10(15)14-8-3-4-12-9(11)5-8/h3-5,7H,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyDJSZQNZTOJDUOJ-UHFFFAOYSA-N
XLogP2.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea
CID 14625252
1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea
CID 134098121
ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate
CID 134101188
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
methyl 4-[(2-chloro-4-pyridinyl)carbamoylamino]pyridine-2-carboxylate
CID 168979744
2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47325563
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea
CID 150183067
1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea
CID 108895351
1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea
CID 22947333
1-(2-chloro-4-pyridinyl)-3-cyclobutylurea
CID 14625236
1-(3,4-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916216

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea (CID 14625226) is 1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea is CC(C)CNC(=O)Nc1ccnc(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea?
The InChIKey is DJSZQNZTOJDUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7(2)6-13-10(15)14-8-3-4-12-9(11)5-8/h3-5,7H,6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea?
1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea has a molecular weight of 227.69 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea is sourced from PubChem (CID 14625226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).