N-[4-(4-acetylphenyl)-2-methylhexan-2-yl]pyridine-2-carboxamide

C21H26N2O2 — CID 132566426

IUPACN-[4-(4-acetylphenyl)-2-methylhexan-2-yl]pyridine-2-carboxamide
SMILESCCC(CC(C)(C)NC(=O)c1ccccn1)c1ccc(C(C)=O)cc1
InChIInChI=1S/C21H26N2O2/c1-5-16(18-11-9-17(10-12-18)15(2)24)14-21(3,4)23-20(25)19-8-6-7-13-22-19/h6-13,16H,5,14H2,1-4H3,(H,23,25)
InChIKeyIFKRDDFOPNXOEP-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.38
Rot. Bonds7

About N-[4-(4-acetylphenyl)-2-methylhexan-2-yl]pyridine-2-carboxamide

N-[4-(4-acetylphenyl)-2-methylhexan-2-yl]pyridine-2-carboxamide (PubChem CID 132566426) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-(4-acetylphenyl)-2-methylhexan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetylphenyl)-2-methylhexan-2-yl]pyridine-2-carboxamide
PubChem CID132566426
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[4-(4-acetylphenyl)-2-methylhexan-2-yl]pyridine-2-carboxamide
SMILESCCC(CC(C)(C)NC(=O)c1ccccn1)c1ccc(C(C)=O)cc1
InChIInChI=1S/C21H26N2O2/c1-5-16(18-11-9-17(10-12-18)15(2)24)14-21(3,4)23-20(25)19-8-6-7-13-22-19/h6-13,16H,5,14H2,1-4H3,(H,23,25)
InChIKeyIFKRDDFOPNXOEP-UHFFFAOYSA-N
XLogP4.38
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 39902982
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 103890812
N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 114314515
N-(1-amino-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64549265
N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 110475836
N-(1-bromobutan-2-yl)pyridine-2-carboxamide
CID 114307782
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
N-(1-hydroxy-2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 105059023
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 111422570

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylphenyl)-2-methylhexan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-acetylphenyl)-2-methylhexan-2-yl]pyridine-2-carboxamide (CID 132566426) is N-[4-(4-acetylphenyl)-2-methylhexan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-acetylphenyl)-2-methylhexan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-acetylphenyl)-2-methylhexan-2-yl]pyridine-2-carboxamide is CCC(CC(C)(C)NC(=O)c1ccccn1)c1ccc(C(C)=O)cc1.
What is the InChIKey of N-[4-(4-acetylphenyl)-2-methylhexan-2-yl]pyridine-2-carboxamide?
The InChIKey is IFKRDDFOPNXOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-16(18-11-9-17(10-12-18)15(2)24)14-21(3,4)23-20(25)19-8-6-7-13-22-19/h6-13,16H,5,14H2,1-4H3,(H,23,25).
What are the key properties of N-[4-(4-acetylphenyl)-2-methylhexan-2-yl]pyridine-2-carboxamide?
N-[4-(4-acetylphenyl)-2-methylhexan-2-yl]pyridine-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylphenyl)-2-methylhexan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 132566426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).