1-formyl-5-[3-[2-[[2-(methylamino)acetyl]amino]propyl]-1H-indol-2-yl]pyrrolidine-2-carboxamide;1,2,3,4-tetrahydronaphthalene

C30H39N5O3 — CID 144973523

IUPAC1-formyl-5-[3-[2-[[2-(methylamino)acetyl]amino]propyl]-1H-indol-2-yl]pyrrolidine-2-carboxamide;1,2,3,4-tetrahydronaphthalene
SMILESCNCC(=O)NC(C)Cc1c(C2CCC(C(N)=O)N2C=O)[nH]c2ccccc12.c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H27N5O3.C10H12/c1-12(23-18(27)10-22-2)9-14-13-5-3-4-6-15(13)24-19(14)16-7-8-17(20(21)28)25(16)11-26;1-2-6-10-8-4-3-7-9(10)5-1/h3-6,11-12,16-17,22,24H,7-10H2,1-2H3,(H2,21,28)(H,23,27);1-2,5-6H,3-4,7-8H2
InChIKeyFMZLFXNTQSDHGH-UHFFFAOYSA-N
MW517.67 g/mol
LogP3.15
Rot. Bonds8

About 1-formyl-5-[3-[2-[[2-(methylamino)acetyl]amino]propyl]-1H-indol-2-yl]pyrrolidine-2-carboxamide;1,2,3,4-tetrahydronaphthalene

1-formyl-5-[3-[2-[[2-(methylamino)acetyl]amino]propyl]-1H-indol-2-yl]pyrrolidine-2-carboxamide;1,2,3,4-tetrahydronaphthalene (PubChem CID 144973523) has the molecular formula C30H39N5O3 and a molecular weight of 517.67 g/mol. Its IUPAC name is 1-formyl-5-[3-[2-[[2-(methylamino)acetyl]amino]propyl]-1H-indol-2-yl]pyrrolidine-2-carboxamide;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-formyl-5-[3-[2-[[2-(methylamino)acetyl]amino]propyl]-1H-indol-2-yl]pyrrolidine-2-carboxamide;1,2,3,4-tetrahydronaphthalene
PubChem CID144973523
Molecular FormulaC30H39N5O3
Molecular Weight517.67 g/mol
Exact Mass517.31
IUPAC Name1-formyl-5-[3-[2-[[2-(methylamino)acetyl]amino]propyl]-1H-indol-2-yl]pyrrolidine-2-carboxamide;1,2,3,4-tetrahydronaphthalene
SMILESCNCC(=O)NC(C)Cc1c(C2CCC(C(N)=O)N2C=O)[nH]c2ccccc12.c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H27N5O3.C10H12/c1-12(23-18(27)10-22-2)9-14-13-5-3-4-6-15(13)24-19(14)16-7-8-17(20(21)28)25(16)11-26;1-2-6-10-8-4-3-7-9(10)5-1/h3-6,11-12,16-17,22,24H,7-10H2,1-2H3,(H2,21,28)(H,23,27);1-2,5-6H,3-4,7-8H2
InChIKeyFMZLFXNTQSDHGH-UHFFFAOYSA-N
XLogP3.15
TPSA120.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.67
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 144973546
ethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene
CID 144636410
3-[(2S)-2-acetamidopropyl]-1H-indole-2-carboxylate
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CID 90976096
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2-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
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1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone
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CID 582689

Frequently Asked Questions

What is the IUPAC name of 1-formyl-5-[3-[2-[[2-(methylamino)acetyl]amino]propyl]-1H-indol-2-yl]pyrrolidine-2-carboxamide;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-formyl-5-[3-[2-[[2-(methylamino)acetyl]amino]propyl]-1H-indol-2-yl]pyrrolidine-2-carboxamide;1,2,3,4-tetrahydronaphthalene (CID 144973523) is 1-formyl-5-[3-[2-[[2-(methylamino)acetyl]amino]propyl]-1H-indol-2-yl]pyrrolidine-2-carboxamide;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-formyl-5-[3-[2-[[2-(methylamino)acetyl]amino]propyl]-1H-indol-2-yl]pyrrolidine-2-carboxamide;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-formyl-5-[3-[2-[[2-(methylamino)acetyl]amino]propyl]-1H-indol-2-yl]pyrrolidine-2-carboxamide;1,2,3,4-tetrahydronaphthalene is CNCC(=O)NC(C)Cc1c(C2CCC(C(N)=O)N2C=O)[nH]c2ccccc12.c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-formyl-5-[3-[2-[[2-(methylamino)acetyl]amino]propyl]-1H-indol-2-yl]pyrrolidine-2-carboxamide;1,2,3,4-tetrahydronaphthalene?
The InChIKey is FMZLFXNTQSDHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3.C10H12/c1-12(23-18(27)10-22-2)9-14-13-5-3-4-6-15(13)24-19(14)16-7-8-17(20(21)28)25(16)11-26;1-2-6-10-8-4-3-7-9(10)5-1/h3-6,11-12,16-17,22,24H,7-10H2,1-2H3,(H2,21,28)(H,23,27);1-2,5-6H,3-4,7-8H2.
What are the key properties of 1-formyl-5-[3-[2-[[2-(methylamino)acetyl]amino]propyl]-1H-indol-2-yl]pyrrolidine-2-carboxamide;1,2,3,4-tetrahydronaphthalene?
1-formyl-5-[3-[2-[[2-(methylamino)acetyl]amino]propyl]-1H-indol-2-yl]pyrrolidine-2-carboxamide;1,2,3,4-tetrahydronaphthalene has a molecular weight of 517.67 g/mol, XLogP of 3.15, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-5-[3-[2-[[2-(methylamino)acetyl]amino]propyl]-1H-indol-2-yl]pyrrolidine-2-carboxamide;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 144973523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).