N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide

C19H21N3O3 — CID 168586858

IUPACN-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
SMILESCc1cc(-c2ccc(OCC(=O)NC(C)(C)C)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C19H21N3O3/c1-12-9-15(16(10-20)18(24)21-12)13-5-7-14(8-6-13)25-11-17(23)22-19(2,3)4/h5-9H,11H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyAOXUZVIKUYHNMI-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.52
Rot. Bonds4

About N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide

N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide (PubChem CID 168586858) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
PubChem CID168586858
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
SMILESCc1cc(-c2ccc(OCC(=O)NC(C)(C)C)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C19H21N3O3/c1-12-9-15(16(10-20)18(24)21-12)13-5-7-14(8-6-13)25-11-17(23)22-19(2,3)4/h5-9H,11H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyAOXUZVIKUYHNMI-UHFFFAOYSA-N
XLogP2.52
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]ethoxy]benzoate
CID 168585645
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 168587281
6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585141
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
CID 168586168
6-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585756
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid
CID 168586784
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168585220
6-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168587033
4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585236
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetic acid
CID 168587366
4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585110

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide (CID 168586858) is N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide is Cc1cc(-c2ccc(OCC(=O)NC(C)(C)C)cc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide?
The InChIKey is AOXUZVIKUYHNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-9-15(16(10-20)18(24)21-12)13-5-7-14(8-6-13)25-11-17(23)22-19(2,3)4/h5-9H,11H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide?
N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide is sourced from PubChem (CID 168586858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).