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

C20H27N3O2 — CID 109195550

IUPACN-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(Nc2ccccc2OC(C)C)cn1
InChIInChI=1S/C20H27N3O2/c1-14(2)11-12-21-20(24)18-10-9-16(13-22-18)23-17-7-5-6-8-19(17)25-15(3)4/h5-10,13-15,23H,11-12H2,1-4H3,(H,21,24)
InChIKeyNIJWRZIMEBZUCK-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.39
Rot. Bonds8

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

N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide (PubChem CID 109195550) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
PubChem CID109195550
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(Nc2ccccc2OC(C)C)cn1
InChIInChI=1S/C20H27N3O2/c1-14(2)11-12-21-20(24)18-10-9-16(13-22-18)23-17-7-5-6-8-19(17)25-15(3)4/h5-10,13-15,23H,11-12H2,1-4H3,(H,21,24)
InChIKeyNIJWRZIMEBZUCK-UHFFFAOYSA-N
XLogP4.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109198964
N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109311906
5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195596
5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195520
5-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181135
5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195545
N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109183920
4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217325
N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188286
5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109198899
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892
5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109180889

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide (CID 109195550) is N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide is CC(C)CCNC(=O)c1ccc(Nc2ccccc2OC(C)C)cn1.
What is the InChIKey of N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
The InChIKey is NIJWRZIMEBZUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)11-12-21-20(24)18-10-9-16(13-22-18)23-17-7-5-6-8-19(17)25-15(3)4/h5-10,13-15,23H,11-12H2,1-4H3,(H,21,24).
What are the key properties of N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109195550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).