3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea

C12H17Cl2N3O2 — CID 3738621

IUPAC3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea
SMILESCCCN(CCOC)C(=O)Nc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H17Cl2N3O2/c1-3-4-17(5-6-19-2)12(18)15-9-7-10(13)16-11(14)8-9/h7-8H,3-6H2,1-2H3,(H,15,16,18)
InChIKeyNTADDHVBSQXDJU-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.28
Rot. Bonds6

About 3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea

3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea (PubChem CID 3738621) has the molecular formula C12H17Cl2N3O2 and a molecular weight of 306.19 g/mol. Its IUPAC name is 3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea
PubChem CID3738621
Molecular FormulaC12H17Cl2N3O2
Molecular Weight306.19 g/mol
Exact Mass305.07
IUPAC Name3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea
SMILESCCCN(CCOC)C(=O)Nc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H17Cl2N3O2/c1-3-4-17(5-6-19-2)12(18)15-9-7-10(13)16-11(14)8-9/h7-8H,3-6H2,1-2H3,(H,15,16,18)
InChIKeyNTADDHVBSQXDJU-UHFFFAOYSA-N
XLogP3.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78959056
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 115608745
1-(2-methoxyethyl)-3-naphthalen-1-yl-1-propylurea
CID 3823639
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
2-[(3,5-dichloro-4-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 107576404
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481
4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride
CID 45156351
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea
CID 54948448
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129
3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 56825813
3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea
CID 3850289

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea?
The IUPAC name of 3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea (CID 3738621) is 3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea.
What is the SMILES notation for 3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea?
The canonical SMILES for 3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea is CCCN(CCOC)C(=O)Nc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea?
The InChIKey is NTADDHVBSQXDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O2/c1-3-4-17(5-6-19-2)12(18)15-9-7-10(13)16-11(14)8-9/h7-8H,3-6H2,1-2H3,(H,15,16,18).
What are the key properties of 3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea?
3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea has a molecular weight of 306.19 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea is sourced from PubChem (CID 3738621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).