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

C10H14ClN3O2 — CID 134098121

IUPAC1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C10H14ClN3O2/c1-16-6-2-4-13-10(15)14-8-3-5-12-9(11)7-8/h3,5,7H,2,4,6H2,1H3,(H2,12,13,14,15)
InChIKeyHYOFBMGXWSJLRO-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.89
Rot. Bonds5

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

1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea (PubChem CID 134098121) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea
PubChem CID134098121
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C10H14ClN3O2/c1-16-6-2-4-13-10(15)14-8-3-5-12-9(11)7-8/h3,5,7H,2,4,6H2,1H3,(H2,12,13,14,15)
InChIKeyHYOFBMGXWSJLRO-UHFFFAOYSA-N
XLogP1.89
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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
methyl 4-[(2-chloro-4-pyridinyl)carbamoylamino]pyridine-2-carboxylate
CID 168979744
1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea
CID 14625252
2-[3-(3-methoxypropylcarbamoylamino)phenoxy]acetic acid
CID 61196148
1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea
CID 86001834
2-[3-(3-methoxypropylcarbamoylamino)phenyl]acetic acid
CID 65345451
1-(3-methoxypropyl)-3-(3-methylsulfonylphenyl)urea
CID 47201415
N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide
CID 47200679
[3-(3-methoxypropylcarbamoylamino)phenyl] acetate
CID 108865105
1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47032179
1-(3-methoxypropyl)-3-(4-methylsulfonylphenyl)urea
CID 47197998

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea (CID 134098121) is 1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea is COCCCNC(=O)Nc1ccnc(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea?
The InChIKey is HYOFBMGXWSJLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-16-6-2-4-13-10(15)14-8-3-5-12-9(11)7-8/h3,5,7H,2,4,6H2,1H3,(H2,12,13,14,15).
What are the key properties of 1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea?
1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea has a molecular weight of 243.69 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea is sourced from PubChem (CID 134098121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).