N-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide

C23H25N3O3 — CID 167802809

IUPACN-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESCc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C23H25N3O3/c1-15-17(14-29-23(2,3)4)6-5-7-19(15)25-21(27)18-8-9-20(26-22(18)28)16-10-12-24-13-11-16/h5-13H,14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyYKFYCRUQXRNCTF-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.31
Rot. Bonds5

About N-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide

N-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide (PubChem CID 167802809) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
PubChem CID167802809
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESCc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C23H25N3O3/c1-15-17(14-29-23(2,3)4)6-5-7-19(15)25-21(27)18-8-9-20(26-22(18)28)16-10-12-24-13-11-16/h5-13H,14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyYKFYCRUQXRNCTF-UHFFFAOYSA-N
XLogP4.31
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66498057
N-(2-ethylphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497727
N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 124559390
N-(2-methoxyethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 129352938
N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 125478368
6-(4-methylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 66497649
ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid
CID 91141021
N-(2-methoxyphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66498056
N-(2,5-dimethylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497845
2-oxo-6-phenyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-pyridine-3-carboxamide
CID 75493420
N-(2-bromophenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497775
N-(3,4-dimethylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497549

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide (CID 167802809) is N-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide is Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(-c2ccncc2)[nH]c1=O.
What is the InChIKey of N-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide?
The InChIKey is YKFYCRUQXRNCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-17(14-29-23(2,3)4)6-5-7-19(15)25-21(27)18-8-9-20(26-22(18)28)16-10-12-24-13-11-16/h5-13H,14H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide?
N-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 167802809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).