N-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide

C21H27N3O2 — CID 109226755

IUPACN-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cncc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H27N3O2/c1-15(2)26-20-11-7-6-10-19(20)23-18-12-16(13-22-14-18)21(25)24-17-8-4-3-5-9-17/h6-7,10-15,17,23H,3-5,8-9H2,1-2H3,(H,24,25)
InChIKeyHJKQVUNMTUPBLK-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.67
Rot. Bonds6

About N-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide

N-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide (PubChem CID 109226755) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
PubChem CID109226755
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cncc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H27N3O2/c1-15(2)26-20-11-7-6-10-19(20)23-18-12-16(13-22-14-18)21(25)24-17-8-4-3-5-9-17/h6-7,10-15,17,23H,3-5,8-9H2,1-2H3,(H,24,25)
InChIKeyHJKQVUNMTUPBLK-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-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109239521
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-(oxolan-2-ylmethyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228849
N-cyclopentyl-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109225985
5-anilino-N-cyclohexylpyridine-3-carboxamide
CID 109226711
N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109223659
N-(3-methoxypropyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228125
5-(2-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245416
N-(2-ethoxyphenyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109245387
N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109231733
N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109226790

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide (CID 109226755) is N-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide is CC(C)Oc1ccccc1Nc1cncc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
The InChIKey is HJKQVUNMTUPBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)26-20-11-7-6-10-19(20)23-18-12-16(13-22-14-18)21(25)24-17-8-4-3-5-9-17/h6-7,10-15,17,23H,3-5,8-9H2,1-2H3,(H,24,25).
What are the key properties of N-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
N-cyclohexyl-5-(2-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-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109226755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).