2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide

C19H22ClN3O3 — CID 86584332

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide
SMILESCCC(C=O)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C(N)=O
InChIInChI=1S/C19H22ClN3O3/c1-5-14(9-24)23-15-8-12(4)22-19(16(15)18(21)25)26-17-10(2)6-13(20)7-11(17)3/h6-9,14H,5H2,1-4H3,(H2,21,25)(H,22,23)
InChIKeyHUIMYVQMKUXKRN-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.94
Rot. Bonds7

About 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide

2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide (PubChem CID 86584332) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide
PubChem CID86584332
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide
SMILESCCC(C=O)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C(N)=O
InChIInChI=1S/C19H22ClN3O3/c1-5-14(9-24)23-15-8-12(4)22-19(16(15)18(21)25)26-17-10(2)6-13(20)7-11(17)3/h6-9,14H,5H2,1-4H3,(H2,21,25)(H,22,23)
InChIKeyHUIMYVQMKUXKRN-UHFFFAOYSA-N
XLogP3.94
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-(pentan-3-yl)pyridin-4-amine
CID 10405373
methyl 2-(4-chloro-2,6-dimethylphenoxy)-4-{[(2S)-1-hydroxybutan-2-yl]amino}-6-methylpyridine-3-carboxylate
CID 24768327
2-(4-chloro-2,6-dimethylphenoxy)-4-{[(2S)-1-hydroxybutan-2-yl]amino}-N,6-dimethylpyridine-3-carboxamide
CID 24768328
2-(4-Chloro-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide
CID 623537
methyl 2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2R)-1-hydroxybutan-2-yl]amino]-6-methylpyridine-3-carboxylate
CID 69587636
2-[4-Chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide
CID 10296429
2-[4-chloro-2-(trifluoromethoxy)phenoxy]-N,6-dimethyl-4-(pentan-3-ylamino)pyridine-3-carboxamide
CID 69897167
2-[4-Chloro-2-(trifluoromethoxy)phenoxy]-5,6-dimethyl-4-(pentan-3-ylamino)pyridine-3-carboxamide
CID 69897168
2-(4-chloro-2,6-dimethylphenoxy)-4-(1-hydroxybutan-2-ylamino)-N,6-dimethylpyridine-3-carboxamide
CID 9952418
Methyl 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(oxolan-3-ylamino)pyridine-3-carboxylate
CID 10135022
2-(4-Chloro-2,6-dimethyl-phenoxy)-4-(1-hydroxymethyl-propylamino)-6-methyl-nicotinic acid methyl ester
CID 10178647
Methyl 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate
CID 10180615

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide (CID 86584332) is 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide is CCC(C=O)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C(N)=O.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is HUIMYVQMKUXKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-5-14(9-24)23-15-8-12(4)22-19(16(15)18(21)25)26-17-10(2)6-13(20)7-11(17)3/h6-9,14H,5H2,1-4H3,(H2,21,25)(H,22,23).
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide?
2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 86584332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).