N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide

C20H25N3O3 — CID 113010066

IUPACN-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC3CCCCC3)nc2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-25-17-10-8-14(12-18(17)26-2)20(24)23-16-9-11-19(21-13-16)22-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,21,22)(H,23,24)
InChIKeySCCRKZGVMJSNHL-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.10
Rot. Bonds6

About N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide

N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide (PubChem CID 113010066) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide
PubChem CID113010066
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC3CCCCC3)nc2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-25-17-10-8-14(12-18(17)26-2)20(24)23-16-9-11-19(21-13-16)22-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,21,22)(H,23,24)
InChIKeySCCRKZGVMJSNHL-UHFFFAOYSA-N
XLogP4.10
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113014907
cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate
CID 985959
N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide
CID 113010050
methyl 4-[[6-(cycloheptylamino)pyridine-3-carbonyl]amino]benzoate
CID 109161045
N-[6-(cyclohexylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113010088
N-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113014933
N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide
CID 109161029
N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 5049567
N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide
CID 109152462
N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide
CID 113044384
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide (CID 113010066) is N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(NC3CCCCC3)nc2)cc1OC.
What is the InChIKey of N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide?
The InChIKey is SCCRKZGVMJSNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-17-10-8-14(12-18(17)26-2)20(24)23-16-9-11-19(21-13-16)22-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide?
N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide has a molecular weight of 355.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 113010066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).