4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C20H23N3O3 — CID 168586713

IUPAC4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(C)[nH]c(=O)c2C#N)ccc1OCCN1CCCC1
InChIInChI=1S/C20H23N3O3/c1-14-11-16(17(13-21)20(24)22-14)15-5-6-18(19(12-15)25-2)26-10-9-23-7-3-4-8-23/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,22,24)
InChIKeyDUWOQEWDWPZVJO-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.71
Rot. Bonds6

About 4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168586713) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168586713
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(C)[nH]c(=O)c2C#N)ccc1OCCN1CCCC1
InChIInChI=1S/C20H23N3O3/c1-14-11-16(17(13-21)20(24)22-14)15-5-6-18(19(12-15)25-2)26-10-9-23-7-3-4-8-23/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,22,24)
InChIKeyDUWOQEWDWPZVJO-UHFFFAOYSA-N
XLogP2.71
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82639427
4-(3-butoxy-4-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585115
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetic acid
CID 168587366
4-[4-ethoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586476
4-[3-[2-(1,3-dioxolan-2-yl)ethoxy]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586415
propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate
CID 168586158
4-[4-[(5-formyl-2-methoxyphenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586229
4-(4-methoxy-3-phenylmethoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584640
4-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585785
4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584806
4-(3-chloro-4-propoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587004
4-[3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586012

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168586713) is 4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is COc1cc(-c2cc(C)[nH]c(=O)c2C#N)ccc1OCCN1CCCC1.
What is the InChIKey of 4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is DUWOQEWDWPZVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-11-16(17(13-21)20(24)22-14)15-5-6-18(19(12-15)25-2)26-10-9-23-7-3-4-8-23/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,22,24).
What are the key properties of 4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 353.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).