3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one

C18H24N2O2 — CID 82518886

IUPAC3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one
SMILESCCOc1ccccc1-c1ccc(CNC(C)CC)c(=O)[nH]1
InChIInChI=1S/C18H24N2O2/c1-4-13(3)19-12-14-10-11-16(20-18(14)21)15-8-6-7-9-17(15)22-5-2/h6-11,13,19H,4-5,12H2,1-3H3,(H,20,21)
InChIKeyPWKLBNIBSCGZHT-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.33
Rot. Bonds7

About 3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one

3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one (PubChem CID 82518886) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one
PubChem CID82518886
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one
SMILESCCOc1ccccc1-c1ccc(CNC(C)CC)c(=O)[nH]1
InChIInChI=1S/C18H24N2O2/c1-4-13(3)19-12-14-10-11-16(20-18(14)21)15-8-6-7-9-17(15)22-5-2/h6-11,13,19H,4-5,12H2,1-3H3,(H,20,21)
InChIKeyPWKLBNIBSCGZHT-UHFFFAOYSA-N
XLogP3.33
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one
CID 82518878
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
4-(2-ethoxyphenyl)-3H-1,3-thiazol-2-one
CID 43286764
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]butan-2-amine
CID 4717056
N-[(2-ethoxyphenyl)methyl]pentan-2-amine
CID 43177718
(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
CID 104868300
4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one
CID 63553516
methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate
CID 23167499
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-2-amine
CID 66531772
N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine
CID 63843803
N-[[6-(2-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82452876
N-[(2-phenylphenyl)methyl]butan-2-amine
CID 165473157

Frequently Asked Questions

What is the IUPAC name of 3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one (CID 82518886) is 3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one is CCOc1ccccc1-c1ccc(CNC(C)CC)c(=O)[nH]1.
What is the InChIKey of 3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one?
The InChIKey is PWKLBNIBSCGZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-13(3)19-12-14-10-11-16(20-18(14)21)15-8-6-7-9-17(15)22-5-2/h6-11,13,19H,4-5,12H2,1-3H3,(H,20,21).
What are the key properties of 3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one?
3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(butan-2-ylamino)methyl]-6-(2-ethoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 82518886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).