6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide

C20H27N3O — CID 109161164

IUPAC6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C20H27N3O/c1-14(2)11-12-21-19-10-7-17(13-22-19)20(24)23-18-8-5-16(6-9-18)15(3)4/h5-10,13-15H,11-12H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyBINVKEOLDHRRNW-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.92
Rot. Bonds7

About 6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide

6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 109161164) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID109161164
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C20H27N3O/c1-14(2)11-12-21-19-10-7-17(13-22-19)20(24)23-18-8-5-16(6-9-18)15(3)4/h5-10,13-15H,11-12H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyBINVKEOLDHRRNW-UHFFFAOYSA-N
XLogP4.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(ethylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62171187
6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109161183
4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide
CID 113030264
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161212
2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109248729
3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107140
N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161206
N-(4-chloro-2,5-dimethoxyphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161219
N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246773
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109155596
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide (CID 109161164) is 6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide is CC(C)CCNc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of 6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is BINVKEOLDHRRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-14(2)11-12-21-19-10-7-17(13-22-19)20(24)23-18-8-5-16(6-9-18)15(3)4/h5-10,13-15H,11-12H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109161164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).