1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea

C20H26N4O3 — CID 113034718

IUPAC1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea
SMILESCOc1ccc(Nc2ccc(NC(=O)NC3CCCCC3)nc2)c(OC)c1
InChIInChI=1S/C20H26N4O3/c1-26-16-9-10-17(18(12-16)27-2)22-15-8-11-19(21-13-15)24-20(25)23-14-6-4-3-5-7-14/h8-14,22H,3-7H2,1-2H3,(H2,21,23,24,25)
InChIKeyMDUZGRWYNBMNQR-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.30
Rot. Bonds6

About 1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea

1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea (PubChem CID 113034718) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea
PubChem CID113034718
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea
SMILESCOc1ccc(Nc2ccc(NC(=O)NC3CCCCC3)nc2)c(OC)c1
InChIInChI=1S/C20H26N4O3/c1-26-16-9-10-17(18(12-16)27-2)22-15-8-11-19(21-13-15)24-20(25)23-14-6-4-3-5-7-14/h8-14,22H,3-7H2,1-2H3,(H2,21,23,24,25)
InChIKeyMDUZGRWYNBMNQR-UHFFFAOYSA-N
XLogP4.30
TPSA84.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea
CID 113034207
1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea
CID 113036939
1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea
CID 113034717
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034682
N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109161067
1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea
CID 113048333
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034689
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113020010
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034700
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034610

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea (CID 113034718) is 1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea is COc1ccc(Nc2ccc(NC(=O)NC3CCCCC3)nc2)c(OC)c1.
What is the InChIKey of 1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea?
The InChIKey is MDUZGRWYNBMNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-26-16-9-10-17(18(12-16)27-2)22-15-8-11-19(21-13-15)24-20(25)23-14-6-4-3-5-7-14/h8-14,22H,3-7H2,1-2H3,(H2,21,23,24,25).
What are the key properties of 1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea?
1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea has a molecular weight of 370.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea is sourced from PubChem (CID 113034718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).