N-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide

C23H29N3O3 — CID 170505084

IUPACN-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
SMILESCc1cc(CCc2c[nH]c3ccccc23)oc(=O)c1C(=O)NCCC(C)N(C)C
InChIInChI=1S/C23H29N3O3/c1-15-13-18(10-9-17-14-25-20-8-6-5-7-19(17)20)29-23(28)21(15)22(27)24-12-11-16(2)26(3)4/h5-8,13-14,16,25H,9-12H2,1-4H3,(H,24,27)
InChIKeyGMMGFGIYRWXCPX-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.28
Rot. Bonds8

About N-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide

N-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide (PubChem CID 170505084) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
PubChem CID170505084
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
SMILESCc1cc(CCc2c[nH]c3ccccc23)oc(=O)c1C(=O)NCCC(C)N(C)C
InChIInChI=1S/C23H29N3O3/c1-15-13-18(10-9-17-14-25-20-8-6-5-7-19(17)20)29-23(28)21(15)22(27)24-12-11-16(2)26(3)4/h5-8,13-14,16,25H,9-12H2,1-4H3,(H,24,27)
InChIKeyGMMGFGIYRWXCPX-UHFFFAOYSA-N
XLogP3.28
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170507097
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170508113
6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide
CID 170509914
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510364
3-(4-ethylpiperazine-1-carbonyl)-6-[2-(1H-indol-3-yl)ethyl]-4-methylpyran-2-one
CID 169417439
6-[2-(1H-indol-3-yl)ethyl]-N,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-oxopyran-3-carboxamide
CID 170503697
acetic acid;N-[(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 171707291
4-[6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carbonyl]piperazin-2-one
CID 169416633
N-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170506099
3-(3-aminopiperidine-1-carbonyl)-6-[2-(1H-indol-3-yl)ethyl]-4-methylpyran-2-one
CID 170509756
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
CID 110295882
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide (CID 170505084) is N-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide is Cc1cc(CCc2c[nH]c3ccccc23)oc(=O)c1C(=O)NCCC(C)N(C)C.
What is the InChIKey of N-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?
The InChIKey is GMMGFGIYRWXCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15-13-18(10-9-17-14-25-20-8-6-5-7-19(17)20)29-23(28)21(15)22(27)24-12-11-16(2)26(3)4/h5-8,13-14,16,25H,9-12H2,1-4H3,(H,24,27).
What are the key properties of N-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?
N-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170505084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).