4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide

C18H23N3O — CID 113030264

IUPAC4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCCC(C)C)cn2)cc1
InChIInChI=1S/C18H23N3O/c1-13(2)10-11-19-16-8-9-17(20-12-16)21-18(22)15-6-4-14(3)5-7-15/h4-9,12-13,19H,10-11H2,1-3H3,(H,20,21,22)
InChIKeyBSOOZWSIKOLIJV-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.10
Rot. Bonds6

About 4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide

4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide (PubChem CID 113030264) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide
PubChem CID113030264
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCCC(C)C)cn2)cc1
InChIInChI=1S/C18H23N3O/c1-13(2)10-11-19-16-8-9-17(20-12-16)21-18(22)15-6-4-14(3)5-7-15/h4-9,12-13,19H,10-11H2,1-3H3,(H,20,21,22)
InChIKeyBSOOZWSIKOLIJV-UHFFFAOYSA-N
XLogP4.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044515
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113029009
N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113028340
4-(ethylamino)-N-(5-methyl-2-pyridinyl)benzamide
CID 62172642
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109161164
4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023565
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113037492
N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195667

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide?
The IUPAC name of 4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide (CID 113030264) is 4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2ccc(NCCC(C)C)cn2)cc1.
What is the InChIKey of 4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide?
The InChIKey is BSOOZWSIKOLIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13(2)10-11-19-16-8-9-17(20-12-16)21-18(22)15-6-4-14(3)5-7-15/h4-9,12-13,19H,10-11H2,1-3H3,(H,20,21,22).
What are the key properties of 4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide?
4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide has a molecular weight of 297.40 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113030264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).