N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide

C20H21N3O4 — CID 170507097

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
SMILESCc1cc(CCc2c[nH]c3ccccc23)oc(=O)c1C(=O)N[C@@H](C)C(N)=O
InChIInChI=1S/C20H21N3O4/c1-11-9-14(8-7-13-10-22-16-6-4-3-5-15(13)16)27-20(26)17(11)19(25)23-12(2)18(21)24/h3-6,9-10,12,22H,7-8H2,1-2H3,(H2,21,24)(H,23,25)/t12-/m0/s1
InChIKeyISFVUSJCNPNCJU-LBPRGKRZSA-N
MW367.41 g/mol
LogP1.82
Rot. Bonds6

About N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide (PubChem CID 170507097) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
PubChem CID170507097
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
SMILESCc1cc(CCc2c[nH]c3ccccc23)oc(=O)c1C(=O)N[C@@H](C)C(N)=O
InChIInChI=1S/C20H21N3O4/c1-11-9-14(8-7-13-10-22-16-6-4-3-5-15(13)16)27-20(26)17(11)19(25)23-12(2)18(21)24/h3-6,9-10,12,22H,7-8H2,1-2H3,(H2,21,24)(H,23,25)/t12-/m0/s1
InChIKeyISFVUSJCNPNCJU-LBPRGKRZSA-N
XLogP1.82
TPSA118.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170505084
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
N-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170506099
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
3-(3-aminopiperidine-1-carbonyl)-6-[2-(1H-indol-3-yl)ethyl]-4-methylpyran-2-one
CID 170509756
3-(4-ethylpiperazine-1-carbonyl)-6-[2-(1H-indol-3-yl)ethyl]-4-methylpyran-2-one
CID 169417439
4-[6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carbonyl]piperazin-2-one
CID 169416633
6-[2-(1H-indol-3-yl)ethyl]-N,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-oxopyran-3-carboxamide
CID 170503697
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170508998

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide (CID 170507097) is N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide is Cc1cc(CCc2c[nH]c3ccccc23)oc(=O)c1C(=O)N[C@@H](C)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?
The InChIKey is ISFVUSJCNPNCJU-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-11-9-14(8-7-13-10-22-16-6-4-3-5-15(13)16)27-20(26)17(11)19(25)23-12(2)18(21)24/h3-6,9-10,12,22H,7-8H2,1-2H3,(H2,21,24)(H,23,25)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170507097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).