N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide

C21H27N3O2 — CID 109226756

IUPACN-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(Nc2cncc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-15(2)26-20-10-8-18(9-11-20)23-19-12-16(13-22-14-19)21(25)24-17-6-4-3-5-7-17/h8-15,17,23H,3-7H2,1-2H3,(H,24,25)
InChIKeyFJEOTDDTQVAVJY-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.67
Rot. Bonds6

About N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide

N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide (PubChem CID 109226756) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
PubChem CID109226756
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(Nc2cncc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-15(2)26-20-10-8-18(9-11-20)23-19-12-16(13-22-14-19)21(25)24-17-6-4-3-5-7-17/h8-15,17,23H,3-7H2,1-2H3,(H,24,25)
InChIKeyFJEOTDDTQVAVJY-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-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109237215
N-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226755
5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109226017
5-anilino-N-cyclohexylpyridine-3-carboxamide
CID 109226711
N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109152499
5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109225984
N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109217095
N-cyclohexyl-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109226796
5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243870
N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide
CID 109239507
N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109239521
N-cyclopentyl-5-(2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109226008

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide (CID 109226756) is N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide is CC(C)Oc1ccc(Nc2cncc(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
The InChIKey is FJEOTDDTQVAVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)26-20-10-8-18(9-11-20)23-19-12-16(13-22-14-19)21(25)24-17-6-4-3-5-7-17/h8-15,17,23H,3-7H2,1-2H3,(H,24,25).
What are the key properties of N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
N-cyclohexyl-5-(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-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109226756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).