3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid

C70H100N4O14 — CID 157446509

IUPAC3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid
SMILESCC(C)CO.CC(C)COC(C)c1ccc(C(=O)O)cc1.COC(=O)c1ccc(C(C)O)cc1.COC(=O)c1ccc(C(C)OCC(C)C)cc1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2ccc(C(C)OCC(C)C)cc2)c(=O)[nH]1
InChIInChI=1S/C21H28N2O3.C14H20O3.C13H18O3.C10H12O3.C8H12N2O.C4H10O/c1-13(2)12-26-16(5)17-6-8-18(9-7-17)20(24)22-11-19-14(3)10-15(4)23-21(19)25;1-10(2)9-17-11(3)12-5-7-13(8-6-12)14(15)16-4;1-9(2)8-16-10(3)11-4-6-12(7-5-11)13(14)15;1-7(11)8-3-5-9(6-4-8)10(12)13-2;1-5-3-6(2)10-8(11)7(5)4-9;1-4(2)3-5/h6-10,13,16H,11-12H2,1-5H3,(H,22,24)(H,23,25);5-8,10-11H,9H2,1-4H3;4-7,9-10H,8H2,1-3H3,(H,14,15);3-7,11H,1-2H3;3H,4,9H2,1-2H3,(H,10,11);4-5H,3H2,1-2H3
InChIKeyBSHCTZBGPSCUKG-UHFFFAOYSA-N
MW1221.58 g/mol
LogP12.59
Rot. Bonds21

About 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid (PubChem CID 157446509) has the molecular formula C70H100N4O14 and a molecular weight of 1221.58 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid.

Molecular Properties

Compound Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid
PubChem CID157446509
Molecular FormulaC70H100N4O14
Molecular Weight1221.58 g/mol
Exact Mass1220.72
IUPAC Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid
SMILESCC(C)CO.CC(C)COC(C)c1ccc(C(=O)O)cc1.COC(=O)c1ccc(C(C)O)cc1.COC(=O)c1ccc(C(C)OCC(C)C)cc1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2ccc(C(C)OCC(C)C)cc2)c(=O)[nH]1
InChIInChI=1S/C21H28N2O3.C14H20O3.C13H18O3.C10H12O3.C8H12N2O.C4H10O/c1-13(2)12-26-16(5)17-6-8-18(9-7-17)20(24)22-11-19-14(3)10-15(4)23-21(19)25;1-10(2)9-17-11(3)12-5-7-13(8-6-12)14(15)16-4;1-9(2)8-16-10(3)11-4-6-12(7-5-11)13(14)15;1-7(11)8-3-5-9(6-4-8)10(12)13-2;1-5-3-6(2)10-8(11)7(5)4-9;1-4(2)3-5/h6-10,13,16H,11-12H2,1-5H3,(H,22,24)(H,23,25);5-8,10-11H,9H2,1-4H3;4-7,9-10H,8H2,1-3H3,(H,14,15);3-7,11H,1-2H3;3H,4,9H2,1-2H3,(H,10,11);4-5H,3H2,1-2H3
InChIKeyBSHCTZBGPSCUKG-UHFFFAOYSA-N
XLogP12.59
TPSA278.89 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001221.58
LogP ≤ 512.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid with MolForge

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Related Compounds

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(4-methylphenoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(4-methylphenoxy)ethyl]benzoate;4-methylphenol;4-[1-(4-methylphenoxy)ethyl]benzoic acid
CID 159356780
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;4-[1-(4-cyanophenoxy)ethyl]benzoic acid;4-[1-(3-cyanophenoxy)ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide;4-[1-(4-cyanophenoxy)ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide;4-hydroxybenzonitrile;methyl 4-[1-(4-cyanophenoxy)ethyl]benzoate;methyl 4-(1-hydroxyethyl)benzoate
CID 159910399
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 162163581
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(hydroxymethyl)-4-methylthiophene-3-carboxamide
CID 137383779
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;9-bromo-3,4-dimethyl-2,5-dihydro-1-benzoxepine-7-carboxylic acid;9-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3,4-dimethyl-2,5-dihydro-1-benzoxepine-7-carboxamide;hydrochloride
CID 161087450
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17479318
2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 51109177
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methoxy-1-methyl-3-propan-2-ylindole-7-carboxamide;5-methoxy-1-methyl-3-propan-2-ylindole-7-carboxylic acid;hydrochloride
CID 157453221
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylbutanamide
CID 27170074
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 95975954
3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride
CID 119694321
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol;terephthalic acid
CID 174780069

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid?
The IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid (CID 157446509) is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid.
What is the SMILES notation for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid?
The canonical SMILES for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid is CC(C)CO.CC(C)COC(C)c1ccc(C(=O)O)cc1.COC(=O)c1ccc(C(C)O)cc1.COC(=O)c1ccc(C(C)OCC(C)C)cc1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2ccc(C(C)OCC(C)C)cc2)c(=O)[nH]1.
What is the InChIKey of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid?
The InChIKey is BSHCTZBGPSCUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.C14H20O3.C13H18O3.C10H12O3.C8H12N2O.C4H10O/c1-13(2)12-26-16(5)17-6-8-18(9-7-17)20(24)22-11-19-14(3)10-15(4)23-21(19)25;1-10(2)9-17-11(3)12-5-7-13(8-6-12)14(15)16-4;1-9(2)8-16-10(3)11-4-6-12(7-5-11)13(14)15;1-7(11)8-3-5-9(6-4-8)10(12)13-2;1-5-3-6(2)10-8(11)7(5)4-9;1-4(2)3-5/h6-10,13,16H,11-12H2,1-5H3,(H,22,24)(H,23,25);5-8,10-11H,9H2,1-4H3;4-7,9-10H,8H2,1-3H3,(H,14,15);3-7,11H,1-2H3;3H,4,9H2,1-2H3,(H,10,11);4-5H,3H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid?
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid has a molecular weight of 1221.58 g/mol, XLogP of 12.59, 21 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[1-(2-methylpropoxy)ethyl]benzamide;methyl 4-(1-hydroxyethyl)benzoate;methyl 4-[1-(2-methylpropoxy)ethyl]benzoate;2-methylpropan-1-ol;4-[1-(2-methylpropoxy)ethyl]benzoic acid is sourced from PubChem (CID 157446509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).