5-benzyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-1-(methylamino)-2-prop-1-enylpyrrole-3-carboxamide

C25H30N4O3 — CID 123645682

IUPAC5-benzyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-1-(methylamino)-2-prop-1-enylpyrrole-3-carboxamide
SMILESCC=Cc1c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c(C)c(Cc2ccccc2)n1NC
InChIInChI=1S/C25H30N4O3/c1-6-10-20-23(17(3)21(29(20)26-4)14-18-11-8-7-9-12-18)25(31)27-15-19-22(32-5)13-16(2)28-24(19)30/h6-13,26H,14-15H2,1-5H3,(H,27,31)(H,28,30)
InChIKeyHAGCWIDZBGYGIX-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.53
Rot. Bonds8

About 5-benzyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-1-(methylamino)-2-prop-1-enylpyrrole-3-carboxamide

5-benzyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-1-(methylamino)-2-prop-1-enylpyrrole-3-carboxamide (PubChem CID 123645682) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 5-benzyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-1-(methylamino)-2-prop-1-enylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-1-(methylamino)-2-prop-1-enylpyrrole-3-carboxamide
PubChem CID123645682
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name5-benzyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-1-(methylamino)-2-prop-1-enylpyrrole-3-carboxamide
SMILESCC=Cc1c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c(C)c(Cc2ccccc2)n1NC
InChIInChI=1S/C25H30N4O3/c1-6-10-20-23(17(3)21(29(20)26-4)14-18-11-8-7-9-12-18)25(31)27-15-19-22(32-5)13-16(2)28-24(19)30/h6-13,26H,14-15H2,1-5H3,(H,27,31)(H,28,30)
InChIKeyHAGCWIDZBGYGIX-UHFFFAOYSA-N
XLogP3.53
TPSA88.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide
CID 86299691
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 139395079
1-(1-cyclohexylethyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144683606
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172672238
1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144791389
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
1-[1-[1-(2,2-difluoro-3-methoxypropanoyl)piperidin-4-yl]cyclopropyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144791545
1-[(1R)-1-[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144791467
ethane;6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-benzofuran-4-carboxamide
CID 145310356
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)prop-2-enyl]indole-3-carboxamide
CID 142516223
1-[1-[2-(hydroxymethyl)-1-methylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 122458358
1-[(1R)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 134502220

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-1-(methylamino)-2-prop-1-enylpyrrole-3-carboxamide?
The IUPAC name of 5-benzyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-1-(methylamino)-2-prop-1-enylpyrrole-3-carboxamide (CID 123645682) is 5-benzyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-1-(methylamino)-2-prop-1-enylpyrrole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-1-(methylamino)-2-prop-1-enylpyrrole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-1-(methylamino)-2-prop-1-enylpyrrole-3-carboxamide is CC=Cc1c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c(C)c(Cc2ccccc2)n1NC.
What is the InChIKey of 5-benzyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-1-(methylamino)-2-prop-1-enylpyrrole-3-carboxamide?
The InChIKey is HAGCWIDZBGYGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-6-10-20-23(17(3)21(29(20)26-4)14-18-11-8-7-9-12-18)25(31)27-15-19-22(32-5)13-16(2)28-24(19)30/h6-13,26H,14-15H2,1-5H3,(H,27,31)(H,28,30).
What are the key properties of 5-benzyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-1-(methylamino)-2-prop-1-enylpyrrole-3-carboxamide?
5-benzyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-1-(methylamino)-2-prop-1-enylpyrrole-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-1-(methylamino)-2-prop-1-enylpyrrole-3-carboxamide is sourced from PubChem (CID 123645682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).