4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide

C20H24N2O2 — CID 123648832

IUPAC4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
SMILESC=C(C)C(C)(CC)c1ccc(Oc2ccnc(C(=O)NC)c2)cc1
InChIInChI=1S/C20H24N2O2/c1-6-20(4,14(2)3)15-7-9-16(10-8-15)24-17-11-12-22-18(13-17)19(23)21-5/h7-13H,2,6H2,1,3-5H3,(H,21,23)
InChIKeyKSESKMKUMUNCNC-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.48
Rot. Bonds6

About 4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide

4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 123648832) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID123648832
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
SMILESC=C(C)C(C)(CC)c1ccc(Oc2ccnc(C(=O)NC)c2)cc1
InChIInChI=1S/C20H24N2O2/c1-6-20(4,14(2)3)15-7-9-16(10-8-15)24-17-11-12-22-18(13-17)19(23)21-5/h7-13H,2,6H2,1,3-5H3,(H,21,23)
InChIKeyKSESKMKUMUNCNC-UHFFFAOYSA-N
XLogP4.48
TPSA51.22 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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 129189538
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-[(4-hydroxyphenyl)diazenyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 165438064
4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide
CID 23614583
4-[4-[[(3,4-dimethylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11212255
4-[4-[3-[5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)phenyl]-2-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 160887850

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide (CID 123648832) is 4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide is C=C(C)C(C)(CC)c1ccc(Oc2ccnc(C(=O)NC)c2)cc1.
What is the InChIKey of 4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is KSESKMKUMUNCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-6-20(4,14(2)3)15-7-9-16(10-8-15)24-17-11-12-22-18(13-17)19(23)21-5/h7-13H,2,6H2,1,3-5H3,(H,21,23).
What are the key properties of 4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 123648832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).