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

C26H31N3O4 — CID 142516223

IUPACN-[(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
SMILESC=C[C@H](C1CCOCC1)n1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c2ccccc21
InChIInChI=1S/C26H31N3O4/c1-5-21(18-10-12-33-13-11-18)29-17(3)24(19-8-6-7-9-22(19)29)26(31)27-15-20-23(32-4)14-16(2)28-25(20)30/h5-9,14,18,21H,1,10-13,15H2,2-4H3,(H,27,31)(H,28,30)/t21-/m1/s1
InChIKeyJMYZYBJGQIVADA-OAQYLSRUSA-N
MW449.55 g/mol
LogP4.04
Rot. Bonds7

About 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

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 (PubChem CID 142516223) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID142516223
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-[(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
SMILESC=C[C@H](C1CCOCC1)n1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c2ccccc21
InChIInChI=1S/C26H31N3O4/c1-5-21(18-10-12-33-13-11-18)29-17(3)24(19-8-6-7-9-22(19)29)26(31)27-15-20-23(32-4)14-16(2)28-25(20)30/h5-9,14,18,21H,1,10-13,15H2,2-4H3,(H,27,31)(H,28,30)/t21-/m1/s1
InChIKeyJMYZYBJGQIVADA-OAQYLSRUSA-N
XLogP4.04
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyclohexylethyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144683606
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 123545514
1-[1-(1-cyclopropylpiperidin-4-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 123861247
1-[1-[1-(4-chlorophenyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 123868227
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 123202495
N-[(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide
CID 163639413
1-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 118364351
1-[1-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 123426448
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
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-[ethyl(dimethyl)-λ4-sulfanyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 159108518
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C[C@H](C1CCOCC1)n1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is JMYZYBJGQIVADA-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-5-21(18-10-12-33-13-11-18)29-17(3)24(19-8-6-7-9-22(19)29)26(31)27-15-20-23(32-4)14-16(2)28-25(20)30/h5-9,14,18,21H,1,10-13,15H2,2-4H3,(H,27,31)(H,28,30)/t21-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 449.55 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142516223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).