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

C44H57ClN6O7 — CID 157453221

IUPAC3-(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
SMILESCOc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2c(c1)c(C(C)C)cn2C.COc1cc(C(=O)O)c2c(c1)c(C(C)C)cn2C.Cc1cc(C)c(CN)c(=O)[nH]1.Cl
InChIInChI=1S/C22H27N3O3.C14H17NO3.C8H12N2O.ClH/c1-12(2)19-11-25(5)20-16(19)8-15(28-6)9-17(20)21(26)23-10-18-13(3)7-14(4)24-22(18)27;1-8(2)12-7-15(3)13-10(12)5-9(18-4)6-11(13)14(16)17;1-5-3-6(2)10-8(11)7(5)4-9;/h7-9,11-12H,10H2,1-6H3,(H,23,26)(H,24,27);5-8H,1-4H3,(H,16,17);3H,4,9H2,1-2H3,(H,10,11);1H
InChIKeyBWMWYFXJBCKLIB-UHFFFAOYSA-N
MW817.43 g/mol
LogP7.43
Rot. Bonds9

About 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

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 (PubChem CID 157453221) has the molecular formula C44H57ClN6O7 and a molecular weight of 817.43 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]-5-methoxy-1-methyl-3-propan-2-ylindole-7-carboxamide;5-methoxy-1-methyl-3-propan-2-ylindole-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(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
PubChem CID157453221
Molecular FormulaC44H57ClN6O7
Molecular Weight817.43 g/mol
Exact Mass816.40
IUPAC Name3-(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
SMILESCOc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2c(c1)c(C(C)C)cn2C.COc1cc(C(=O)O)c2c(c1)c(C(C)C)cn2C.Cc1cc(C)c(CN)c(=O)[nH]1.Cl
InChIInChI=1S/C22H27N3O3.C14H17NO3.C8H12N2O.ClH/c1-12(2)19-11-25(5)20-16(19)8-15(28-6)9-17(20)21(26)23-10-18-13(3)7-14(4)24-22(18)27;1-8(2)12-7-15(3)13-10(12)5-9(18-4)6-11(13)14(16)17;1-5-3-6(2)10-8(11)7(5)4-9;/h7-9,11-12H,10H2,1-6H3,(H,23,26)(H,24,27);5-8H,1-4H3,(H,16,17);3H,4,9H2,1-2H3,(H,10,11);1H
InChIKeyBWMWYFXJBCKLIB-UHFFFAOYSA-N
XLogP7.43
TPSA186.46 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.43
LogP ≤ 57.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-(2-methylpyrimidin-5-yl)-3-propan-2-ylindole-7-carboxamide
CID 67816378
3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride
CID 119694321
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide
CID 134809638
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide
CID 134804940
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methoxy-2,3-dihydro-1H-indene-4-carboxamide
CID 166313224
5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide
CID 146352020
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide
CID 71569515
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(hydroxymethyl)-4-methylthiophene-3-carboxamide
CID 137383779
4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-3-methyl-1-propan-2-ylindol-6-yl]benzoic acid
CID 54670078
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2-bromoethylbenzene;carbon dioxide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-(2-phenylethyl)pyrazole-4-carboxamide;4,5-dimethyl-1-(2-phenylethyl)pyrazole;methyl 5-methyl-1H-pyrazole-4-carboxylate;5-methyl-1-(2-phenylethyl)pyrazole-4-carboxylic acid
CID 176530745

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]-5-methoxy-1-methyl-3-propan-2-ylindole-7-carboxamide;5-methoxy-1-methyl-3-propan-2-ylindole-7-carboxylic acid;hydrochloride?
The IUPAC name of 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) is 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.
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]-5-methoxy-1-methyl-3-propan-2-ylindole-7-carboxamide;5-methoxy-1-methyl-3-propan-2-ylindole-7-carboxylic acid;hydrochloride?
The canonical SMILES for 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 is COc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2c(c1)c(C(C)C)cn2C.COc1cc(C(=O)O)c2c(c1)c(C(C)C)cn2C.Cc1cc(C)c(CN)c(=O)[nH]1.Cl.
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]-5-methoxy-1-methyl-3-propan-2-ylindole-7-carboxamide;5-methoxy-1-methyl-3-propan-2-ylindole-7-carboxylic acid;hydrochloride?
The InChIKey is BWMWYFXJBCKLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.C14H17NO3.C8H12N2O.ClH/c1-12(2)19-11-25(5)20-16(19)8-15(28-6)9-17(20)21(26)23-10-18-13(3)7-14(4)24-22(18)27;1-8(2)12-7-15(3)13-10(12)5-9(18-4)6-11(13)14(16)17;1-5-3-6(2)10-8(11)7(5)4-9;/h7-9,11-12H,10H2,1-6H3,(H,23,26)(H,24,27);5-8H,1-4H3,(H,16,17);3H,4,9H2,1-2H3,(H,10,11);1H.
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]-5-methoxy-1-methyl-3-propan-2-ylindole-7-carboxamide;5-methoxy-1-methyl-3-propan-2-ylindole-7-carboxylic acid;hydrochloride?
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 has a molecular weight of 817.43 g/mol, XLogP of 7.43, 9 rotatable bonds, 5 hydrogen bond donors, and 9 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]-5-methoxy-1-methyl-3-propan-2-ylindole-7-carboxamide;5-methoxy-1-methyl-3-propan-2-ylindole-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 157453221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).