1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea

C15H13ClN4O3 — CID 10336896

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea
SMILESCOc1cc(OC)c(NC(=O)Nc2ccc(C#N)nc2)cc1Cl
InChIInChI=1S/C15H13ClN4O3/c1-22-13-6-14(23-2)12(5-11(13)16)20-15(21)19-10-4-3-9(7-17)18-8-10/h3-6,8H,1-2H3,(H2,19,20,21)
InChIKeyDVVQRRLQQAWVCC-UHFFFAOYSA-N
MW332.75 g/mol
LogP3.27
Rot. Bonds4

About 1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea

1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea (PubChem CID 10336896) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea
PubChem CID10336896
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea
SMILESCOc1cc(OC)c(NC(=O)Nc2ccc(C#N)nc2)cc1Cl
InChIInChI=1S/C15H13ClN4O3/c1-22-13-6-14(23-2)12(5-11(13)16)20-15(21)19-10-4-3-9(7-17)18-8-10/h3-6,8H,1-2H3,(H2,19,20,21)
InChIKeyDVVQRRLQQAWVCC-UHFFFAOYSA-N
XLogP3.27
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053113
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea
CID 54161267
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 91968122
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827293
N-[5-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-pyridinyl]acetamide
CID 15954890
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
1-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113022483
1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 17270458
1-[5-chloro-2-methoxy-4-[2-[(4-methoxyphenyl)methylamino]ethyl]phenyl]-3-(5-cyanopyrazin-2-yl)urea
CID 54596278
1-[5-chloro-2-methoxy-4-[2-(2-oxoethylamino)ethyl]phenyl]-3-(5-cyanopyrazin-2-yl)urea
CID 129065806

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea (CID 10336896) is 1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea is COc1cc(OC)c(NC(=O)Nc2ccc(C#N)nc2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea?
The InChIKey is DVVQRRLQQAWVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c1-22-13-6-14(23-2)12(5-11(13)16)20-15(21)19-10-4-3-9(7-17)18-8-10/h3-6,8H,1-2H3,(H2,19,20,21).
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea?
1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea has a molecular weight of 332.75 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea is sourced from PubChem (CID 10336896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).