N-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide

C19H20N2O4 — CID 19880340

IUPACN-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(n1ccccc1=O)=C(CO)C(C)(C)O2
InChIInChI=1S/C19H20N2O4/c1-12(23)20-13-7-8-16-14(10-13)18(15(11-22)19(2,3)25-16)21-9-5-4-6-17(21)24/h4-10,22H,11H2,1-3H3,(H,20,23)
InChIKeyJRJKNLNKHWPETM-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.23
Rot. Bonds3

About N-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide

N-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide (PubChem CID 19880340) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide
PubChem CID19880340
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(n1ccccc1=O)=C(CO)C(C)(C)O2
InChIInChI=1S/C19H20N2O4/c1-12(23)20-13-7-8-16-14(10-13)18(15(11-22)19(2,3)25-16)21-9-5-4-6-17(21)24/h4-10,22H,11H2,1-3H3,(H,20,23)
InChIKeyJRJKNLNKHWPETM-UHFFFAOYSA-N
XLogP2.23
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 2-methoxy-benzylamide
CID 54699372
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxo-
CID 54676680
N-[3-Benzyl-4-(3-isopropylamino-propoxy)-phenyl]-propionamide
CID 10316137
2-hydroxy-N-(2-methoxybenzyl)-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxamide
CID 54676415
N-[3-Allyl-4-(3-isopropylamino-propoxy)-phenyl]-acetamide
CID 10493732
4-(Benzyloxy)-1-(4-{[1-(dimethylamino)-2-methylpropan-2-yl]oxy}phenyl)pyridin-2(1H)-one
CID 53324269
N-(6-Ethoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-(2-hydroxy-ethyl)-propionamide
CID 648609
N-(4-methoxyphenyl)-2H-chromene-3-carboxamide
CID 1478845
N-[(2-Methoxyphenyl)methyl]-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-YL)oxy]butanamide
CID 9551321
(E)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 16229980
N-{3-Allyl-4-[3-(isopropyl-methyl-amino)-propoxy]-phenyl}-propionamide
CID 44354319
tert-butyl N-benzyl-N-[[2-[[3-(2-methylpropanoylamino)phenyl]methoxy]phenyl]methyl]carbamate
CID 45280839

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide?
The IUPAC name of N-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide (CID 19880340) is N-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide?
The canonical SMILES for N-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide is CC(=O)Nc1ccc2c(c1)C(n1ccccc1=O)=C(CO)C(C)(C)O2.
What is the InChIKey of N-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide?
The InChIKey is JRJKNLNKHWPETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12(23)20-13-7-8-16-14(10-13)18(15(11-22)19(2,3)25-16)21-9-5-4-6-17(21)24/h4-10,22H,11H2,1-3H3,(H,20,23).
What are the key properties of N-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide?
N-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide is sourced from PubChem (CID 19880340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).