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

C11H16ClN3O — CID 14625252

IUPAC1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea
SMILESCCC(C)CNC(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C11H16ClN3O/c1-3-8(2)7-14-11(16)15-9-4-5-13-10(12)6-9/h4-6,8H,3,7H2,1-2H3,(H2,13,14,15,16)
InChIKeySZTDOOFHYUKCFX-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.90
Rot. Bonds4

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

1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea (PubChem CID 14625252) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea
PubChem CID14625252
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea
SMILESCCC(C)CNC(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C11H16ClN3O/c1-3-8(2)7-14-11(16)15-9-4-5-13-10(12)6-9/h4-6,8H,3,7H2,1-2H3,(H2,13,14,15,16)
InChIKeySZTDOOFHYUKCFX-UHFFFAOYSA-N
XLogP2.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.90
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-methylpropyl)urea
CID 14625226
ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate
CID 134101188
1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea
CID 134098121
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide
CID 102824371
methyl 4-[(2-chloro-4-pyridinyl)carbamoylamino]pyridine-2-carboxylate
CID 168979744
4-chloro-2-(2-methylbutylcarbamoylamino)benzoic acid
CID 62692918
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea
CID 150183067
ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate
CID 102824081
N-(2-chloro-4-pyridinyl)heptanamide
CID 15790514
(E)-3-[3-(2-methylbutylcarbamoylamino)phenyl]prop-2-enoic acid
CID 115340887

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea (CID 14625252) is 1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea is CCC(C)CNC(=O)Nc1ccnc(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea?
The InChIKey is SZTDOOFHYUKCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-3-8(2)7-14-11(16)15-9-4-5-13-10(12)6-9/h4-6,8H,3,7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea?
1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea has a molecular weight of 241.72 g/mol, XLogP of 2.90, 4 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-methylbutyl)urea is sourced from PubChem (CID 14625252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).