1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea

C13H13ClN4O — CID 82331044

IUPAC1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea
SMILESCc1nc(N)ccc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4O/c1-8-11(6-7-12(15)16-8)18-13(19)17-10-4-2-9(14)3-5-10/h2-7H,1H3,(H2,15,16)(H2,17,18,19)
InChIKeyRQRJDIMBJLHBRJ-UHFFFAOYSA-N
MW276.73 g/mol
LogP3.27
Rot. Bonds2

About 1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea

1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea (PubChem CID 82331044) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea
PubChem CID82331044
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea
SMILESCc1nc(N)ccc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4O/c1-8-11(6-7-12(15)16-8)18-13(19)17-10-4-2-9(14)3-5-10/h2-7H,1H3,(H2,15,16)(H2,17,18,19)
InChIKeyRQRJDIMBJLHBRJ-UHFFFAOYSA-N
XLogP3.27
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea
CID 155816911
1-(2,4-dichlorophenyl)-3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]urea
CID 51031087
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-(6-bromo-2-methyl-3-pyridinyl)-3-(4-fluorophenyl)urea
CID 166636722
1-(4-bromophenyl)-3-[5-[(4-bromophenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]urea
CID 4860693
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
1-(4-amino-2-chlorophenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885532
1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652937
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
CID 61342206
ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea (CID 82331044) is 1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea is Cc1nc(N)ccc1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea?
The InChIKey is RQRJDIMBJLHBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-8-11(6-7-12(15)16-8)18-13(19)17-10-4-2-9(14)3-5-10/h2-7H,1H3,(H2,15,16)(H2,17,18,19).
What are the key properties of 1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea?
1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea has a molecular weight of 276.73 g/mol, XLogP of 3.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea is sourced from PubChem (CID 82331044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).