1-(3-chloro-2-pyridinyl)-3-propylurea

C9H12ClN3O — CID 103886211

IUPAC1-(3-chloro-2-pyridinyl)-3-propylurea
SMILESCCCNC(=O)Nc1ncccc1Cl
InChIInChI=1S/C9H12ClN3O/c1-2-5-12-9(14)13-8-7(10)4-3-6-11-8/h3-4,6H,2,5H2,1H3,(H2,11,12,13,14)
InChIKeyBPJMZMUWFRMVAB-UHFFFAOYSA-N
MW213.67 g/mol
LogP2.27
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-3-propylurea

1-(3-chloro-2-pyridinyl)-3-propylurea (PubChem CID 103886211) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-3-propylurea.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-3-propylurea
PubChem CID103886211
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name1-(3-chloro-2-pyridinyl)-3-propylurea
SMILESCCCNC(=O)Nc1ncccc1Cl
InChIInChI=1S/C9H12ClN3O/c1-2-5-12-9(14)13-8-7(10)4-3-6-11-8/h3-4,6H,2,5H2,1H3,(H2,11,12,13,14)
InChIKeyBPJMZMUWFRMVAB-UHFFFAOYSA-N
XLogP2.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid
CID 103094708
2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide
CID 43402545
1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea
CID 103886204
N-(3-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377262
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 103094851
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide
CID 103094848
1-propyl-3-quinolin-8-ylurea
CID 13078451
N-(3-chloro-2-pyridinyl)-2-ethylhexanamide
CID 103943579
N'-(3-methyl-2-pyridinyl)-N-propyloxamide
CID 44997048
1-butyl-3-(3-nitro-2-pyridinyl)urea
CID 134104979

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-3-propylurea?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-3-propylurea (CID 103886211) is 1-(3-chloro-2-pyridinyl)-3-propylurea.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-3-propylurea?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-3-propylurea is CCCNC(=O)Nc1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-3-propylurea?
The InChIKey is BPJMZMUWFRMVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-2-5-12-9(14)13-8-7(10)4-3-6-11-8/h3-4,6H,2,5H2,1H3,(H2,11,12,13,14).
What are the key properties of 1-(3-chloro-2-pyridinyl)-3-propylurea?
1-(3-chloro-2-pyridinyl)-3-propylurea has a molecular weight of 213.67 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-3-propylurea is sourced from PubChem (CID 103886211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).