1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea

C20H25ClN4O2 — CID 113036939

IUPAC1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea
SMILESCOc1cc(Cl)c(C)cc1Nc1ccc(NC(=O)NC2CCCCC2)nc1
InChIInChI=1S/C20H25ClN4O2/c1-13-10-17(18(27-2)11-16(13)21)23-15-8-9-19(22-12-15)25-20(26)24-14-6-4-3-5-7-14/h8-12,14,23H,3-7H2,1-2H3,(H2,22,24,25,26)
InChIKeyWCRXYEYJZHUOCE-UHFFFAOYSA-N
MW388.90 g/mol
LogP5.25
Rot. Bonds5

About 1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea

1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea (PubChem CID 113036939) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea
PubChem CID113036939
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea
SMILESCOc1cc(Cl)c(C)cc1Nc1ccc(NC(=O)NC2CCCCC2)nc1
InChIInChI=1S/C20H25ClN4O2/c1-13-10-17(18(27-2)11-16(13)21)23-15-8-9-19(22-12-15)25-20(26)24-14-6-4-3-5-7-14/h8-12,14,23H,3-7H2,1-2H3,(H2,22,24,25,26)
InChIKeyWCRXYEYJZHUOCE-UHFFFAOYSA-N
XLogP5.25
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea
CID 113034718
6-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152287
N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036885
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204886
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204162
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250448
azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone
CID 109196845
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113022471
ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate
CID 113022533
1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea
CID 113034207
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249701
2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109311611

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea?
The IUPAC name of 1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea (CID 113036939) is 1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea?
The canonical SMILES for 1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea is COc1cc(Cl)c(C)cc1Nc1ccc(NC(=O)NC2CCCCC2)nc1.
What is the InChIKey of 1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea?
The InChIKey is WCRXYEYJZHUOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-13-10-17(18(27-2)11-16(13)21)23-15-8-9-19(22-12-15)25-20(26)24-14-6-4-3-5-7-14/h8-12,14,23H,3-7H2,1-2H3,(H2,22,24,25,26).
What are the key properties of 1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea?
1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea has a molecular weight of 388.90 g/mol, XLogP of 5.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea is sourced from PubChem (CID 113036939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).