N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide

C20H24N2O2 — CID 170731792

IUPACN-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide
SMILESCCc1cc(NC(=O)c2cccc(C)n2)ccc1C(=O)C(C)CC
InChIInChI=1S/C20H24N2O2/c1-5-13(3)19(23)17-11-10-16(12-15(17)6-2)22-20(24)18-9-7-8-14(4)21-18/h7-13H,5-6H2,1-4H3,(H,22,24)
InChIKeyHGYFBUSERRRABM-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.43
Rot. Bonds6

About N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide

N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide (PubChem CID 170731792) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide
PubChem CID170731792
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide
SMILESCCc1cc(NC(=O)c2cccc(C)n2)ccc1C(=O)C(C)CC
InChIInChI=1S/C20H24N2O2/c1-5-13(3)19(23)17-11-10-16(12-15(17)6-2)22-20(24)18-9-7-8-14(4)21-18/h7-13H,5-6H2,1-4H3,(H,22,24)
InChIKeyHGYFBUSERRRABM-UHFFFAOYSA-N
XLogP4.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-4-methyl-3-(methylamino)benzamide
CID 170731819
N-[3-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-2-carboxamide
CID 43507835
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-[3-(aminomethyl)-4-ethoxyphenyl]-6-methylpyridine-2-carboxamide
CID 63755297
N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 39279397
N-(4-aminophenyl)-6-methylpyridine-2-carboxamide
CID 16784436
N-(4-iodophenyl)-6-methylpyridine-2-carboxamide
CID 31777667
6-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 32544873
2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid
CID 54055082
methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32709892
N-(6-bromo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 103789394
N-(3-formylphenyl)-6-methylpyridine-2-carboxamide
CID 106912611

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide (CID 170731792) is N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide is CCc1cc(NC(=O)c2cccc(C)n2)ccc1C(=O)C(C)CC.
What is the InChIKey of N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide?
The InChIKey is HGYFBUSERRRABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-5-13(3)19(23)17-11-10-16(12-15(17)6-2)22-20(24)18-9-7-8-14(4)21-18/h7-13H,5-6H2,1-4H3,(H,22,24).
What are the key properties of N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide?
N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-4-(2-methylbutanoyl)phenyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 170731792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).