3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea

C14H22ClN3O — CID 47435216

IUPAC3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea
SMILESCC(C)CN(CC(C)C)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H22ClN3O/c1-10(2)8-18(9-11(3)4)14(19)17-12-6-5-7-16-13(12)15/h5-7,10-11H,8-9H2,1-4H3,(H,17,19)
InChIKeyYOUYNFIPCNJFCD-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.88
Rot. Bonds5

About 3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea

3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea (PubChem CID 47435216) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea.

Molecular Properties

Compound Name3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea
PubChem CID47435216
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea
SMILESCC(C)CN(CC(C)C)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H22ClN3O/c1-10(2)8-18(9-11(3)4)14(19)17-12-6-5-7-16-13(12)15/h5-7,10-11H,8-9H2,1-4H3,(H,17,19)
InChIKeyYOUYNFIPCNJFCD-UHFFFAOYSA-N
XLogP3.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108520466
3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea
CID 47258185
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
CID 19835720
3-(2-chloro-3-pyridinyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47435001
N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 60853808
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60691996
1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea
CID 108895086
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
2-[(2-chloro-3-pyridinyl)amino]propanoic acid
CID 66174310
1-(2-chloro-3-pyridinyl)-3-(3-hydroxy-4-methylpentyl)urea
CID 111486854

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea?
The IUPAC name of 3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea (CID 47435216) is 3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea.
What is the SMILES notation for 3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea?
The canonical SMILES for 3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea is CC(C)CN(CC(C)C)C(=O)Nc1cccnc1Cl.
What is the InChIKey of 3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea?
The InChIKey is YOUYNFIPCNJFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(2)8-18(9-11(3)4)14(19)17-12-6-5-7-16-13(12)15/h5-7,10-11H,8-9H2,1-4H3,(H,17,19).
What are the key properties of 3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea?
3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea has a molecular weight of 283.80 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea is sourced from PubChem (CID 47435216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).