2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide

C20H22ClN3O3 — CID 109081455

IUPAC2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(C(=O)NC2CCCCC2)ccn1
InChIInChI=1S/C20H22ClN3O3/c1-27-18-8-7-14(21)12-16(18)24-20(26)17-11-13(9-10-22-17)19(25)23-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,23,25)(H,24,26)
InChIKeyYCWXHEZECWJGCN-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.06
Rot. Bonds5

About 2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide

2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide (PubChem CID 109081455) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide
PubChem CID109081455
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(C(=O)NC2CCCCC2)ccn1
InChIInChI=1S/C20H22ClN3O3/c1-27-18-8-7-14(21)12-16(18)24-20(26)17-11-13(9-10-22-17)19(25)23-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,23,25)(H,24,26)
InChIKeyYCWXHEZECWJGCN-UHFFFAOYSA-N
XLogP4.06
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2-methoxyanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204841
4-N-(5-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080959
2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095044
4-N-(4-chloro-2-methylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081597
2-N-cyclohexyl-4-N-(2,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081635
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
4-N-(4-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080960
2-N-(4-chloro-2-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078521
4-N-(5-chloro-2-methylphenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078715
2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109081613
4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide
CID 17180685
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092735

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide (CID 109081455) is 2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide is COc1ccc(Cl)cc1NC(=O)c1cc(C(=O)NC2CCCCC2)ccn1.
What is the InChIKey of 2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide?
The InChIKey is YCWXHEZECWJGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-27-18-8-7-14(21)12-16(18)24-20(26)17-11-13(9-10-22-17)19(25)23-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide?
2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide has a molecular weight of 387.87 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109081455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).