N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide

C20H24ClN3O3 — CID 113022471

IUPACN-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide
SMILESCOc1cc(Nc2ccc(NC(=O)C3CCCCC3)cn2)c(OC)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-26-17-11-16(18(27-2)10-15(17)21)24-19-9-8-14(12-22-19)23-20(25)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHILYLFRQNHULQN-UHFFFAOYSA-N
MW389.88 g/mol
LogP5.01
Rot. Bonds6

About N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide

N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 113022471) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide
PubChem CID113022471
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide
SMILESCOc1cc(Nc2ccc(NC(=O)C3CCCCC3)cn2)c(OC)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-26-17-11-16(18(27-2)10-15(17)21)24-19-9-8-14(12-22-19)23-20(25)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHILYLFRQNHULQN-UHFFFAOYSA-N
XLogP5.01
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.88
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036885
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113022464
1-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113022483
N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113018586
azepan-1-yl-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanone
CID 109162064
N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113022258
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide
CID 113022491
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113020060
N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113050998
N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]oxane-4-carboxamide
CID 112989722
1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea
CID 113036939
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide (CID 113022471) is N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide is COc1cc(Nc2ccc(NC(=O)C3CCCCC3)cn2)c(OC)cc1Cl.
What is the InChIKey of N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is HILYLFRQNHULQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-26-17-11-16(18(27-2)10-15(17)21)24-19-9-8-14(12-22-19)23-20(25)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide?
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 389.88 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 113022471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).