N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide

C21H27N3O3 — CID 109161067

IUPACN-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NC3CCCCCC3)cn2)c(OC)c1
InChIInChI=1S/C21H27N3O3/c1-26-17-10-11-18(19(13-17)27-2)24-20-12-9-15(14-22-20)21(25)23-16-7-5-3-4-6-8-16/h9-14,16H,3-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCYHWTLFSBVNVJZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.30
Rot. Bonds6

About N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide

N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide (PubChem CID 109161067) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
PubChem CID109161067
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NC3CCCCCC3)cn2)c(OC)c1
InChIInChI=1S/C21H27N3O3/c1-26-17-10-11-18(19(13-17)27-2)24-20-12-9-15(14-22-20)21(25)23-16-7-5-3-4-6-8-16/h9-14,16H,3-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCYHWTLFSBVNVJZ-UHFFFAOYSA-N
XLogP4.30
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 648229
6-(5-chloro-2-methoxyanilino)-N-cyclohexylpyridine-3-carboxamide
CID 109152496
N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 1447829
N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 5049567
6-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152287
1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea
CID 113034718
N-cyclohexyl-6-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 1441232
N-cyclohexyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109152498
3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109052232
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide
CID 100630364
6-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109163030

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide (CID 109161067) is N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2ccc(C(=O)NC3CCCCCC3)cn2)c(OC)c1.
What is the InChIKey of N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide?
The InChIKey is CYHWTLFSBVNVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-17-10-11-18(19(13-17)27-2)24-20-12-9-15(14-22-20)21(25)23-16-7-5-3-4-6-8-16/h9-14,16H,3-8H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide?
N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109161067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).