N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide

C20H25N3O3 — CID 5049567

IUPACN-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NC3CCCCC3)cn2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-25-17-10-9-16(12-18(17)26-2)22-19-11-8-14(13-21-19)20(24)23-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyOTXXKVLDIZAFJG-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.90
Rot. Bonds6

About N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide

N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide (PubChem CID 5049567) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
PubChem CID5049567
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NC3CCCCC3)cn2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-25-17-10-9-16(12-18(17)26-2)22-19-11-8-14(13-21-19)20(24)23-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyOTXXKVLDIZAFJG-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 1447829
6-(5-chloro-2-methoxyanilino)-N-cyclohexylpyridine-3-carboxamide
CID 109152496
N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109161067
N-cyclohexyl-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 648229
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109341510
6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
CID 109161071
N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109152499
6-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152287
N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113010066
6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162615
[6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152644

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide (CID 5049567) is N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2ccc(C(=O)NC3CCCCC3)cn2)cc1OC.
What is the InChIKey of N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
The InChIKey is OTXXKVLDIZAFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-17-10-9-16(12-18(17)26-2)22-19-11-8-14(13-21-19)20(24)23-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 5049567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).