N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide

C21H27N3O2 — CID 109152499

IUPACN-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(Nc2ccc(C(=O)NC3CCCCC3)cn2)cc1
InChIInChI=1S/C21H27N3O2/c1-15(2)26-19-11-9-18(10-12-19)23-20-13-8-16(14-22-20)21(25)24-17-6-4-3-5-7-17/h8-15,17H,3-7H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyWETGDYDGUDOHDJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.67
Rot. Bonds6

About N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide

N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide (PubChem CID 109152499) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
PubChem CID109152499
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(Nc2ccc(C(=O)NC3CCCCC3)cn2)cc1
InChIInChI=1S/C21H27N3O2/c1-15(2)26-19-11-9-18(10-12-19)23-20-13-8-16(14-22-20)21(25)24-17-6-4-3-5-7-17/h8-15,17H,3-7H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyWETGDYDGUDOHDJ-UHFFFAOYSA-N
XLogP4.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226756
N-cyclohexyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109152498
N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 5049567
N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 1447829
N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109217095
N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109161067
6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
CID 109161071
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109080807
N-cyclooctyl-6-hydrazinylpyridine-3-carboxamide
CID 62237790
6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 62241267
N-cyclooctyl-6-(ethylamino)pyridine-3-carboxamide
CID 62171358

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide (CID 109152499) is N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide is CC(C)Oc1ccc(Nc2ccc(C(=O)NC3CCCCC3)cn2)cc1.
What is the InChIKey of N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
The InChIKey is WETGDYDGUDOHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)26-19-11-9-18(10-12-19)23-20-13-8-16(14-22-20)21(25)24-17-6-4-3-5-7-17/h8-15,17H,3-7H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109152499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).