5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide

C21H24N4O4 — CID 145164401

IUPAC5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N(CC=O)CCN(C)Cc3cccc(=O)[nH]3)cc2c1
InChIInChI=1S/C21H24N4O4/c1-24(14-16-4-3-5-20(27)22-16)8-9-25(10-11-26)21(28)19-13-15-12-17(29-2)6-7-18(15)23-19/h3-7,11-13,23H,8-10,14H2,1-2H3,(H,22,27)
InChIKeySIEZUKRXLQQKGV-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.64
Rot. Bonds9

About 5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide

5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide (PubChem CID 145164401) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide
PubChem CID145164401
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N(CC=O)CCN(C)Cc3cccc(=O)[nH]3)cc2c1
InChIInChI=1S/C21H24N4O4/c1-24(14-16-4-3-5-20(27)22-16)8-9-25(10-11-26)21(28)19-13-15-12-17(29-2)6-7-18(15)23-19/h3-7,11-13,23H,8-10,14H2,1-2H3,(H,22,27)
InChIKeySIEZUKRXLQQKGV-UHFFFAOYSA-N
XLogP1.64
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[3-(3-hydroxyoxetan-3-yl)phenyl]methyl-methylamino]ethyl]-5-methoxy-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene
CID 145164460
N-[2-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]ethyl]-5-methyl-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene
CID 145164191
N-[2-[4,5-dihydro-1H-indol-2-ylmethyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide
CID 145164483
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
5-methyl-N-[2-[methyl-[[3-(oxetan-3-yl)phenyl]methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide
CID 145164240
N-[2-[benzyl(formyl)amino]ethyl]-N-ethyl-5-methoxy-1H-indole-2-carboxamide;ethane;2-methoxy-2-methylpropane
CID 145164197
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 90652025
6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 134003031
N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide
CID 29217686
N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride
CID 70216272
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 90649915
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207269

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide (CID 145164401) is 5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N(CC=O)CCN(C)Cc3cccc(=O)[nH]3)cc2c1.
What is the InChIKey of 5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide?
The InChIKey is SIEZUKRXLQQKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-24(14-16-4-3-5-20(27)22-16)8-9-25(10-11-26)21(28)19-13-15-12-17(29-2)6-7-18(15)23-19/h3-7,11-13,23H,8-10,14H2,1-2H3,(H,22,27).
What are the key properties of 5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide?
5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 145164401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).