N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide

C19H24N4O5 — CID 47090989

IUPACN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C19H24N4O5/c24-19(16-10-20-17-2-1-14(23(25)26)9-15(16)17)21-11-18(13-3-6-28-12-13)22-4-7-27-8-5-22/h1-2,9-10,13,18,20H,3-8,11-12H2,(H,21,24)
InChIKeyPLIDCTWONUANTN-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.54
Rot. Bonds6

About N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide

N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide (PubChem CID 47090989) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide
PubChem CID47090989
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C19H24N4O5/c24-19(16-10-20-17-2-1-14(23(25)26)9-15(16)17)21-11-18(13-3-6-28-12-13)22-4-7-27-8-5-22/h1-2,9-10,13,18,20H,3-8,11-12H2,(H,21,24)
InChIKeyPLIDCTWONUANTN-UHFFFAOYSA-N
XLogP1.54
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-5-nitrobenzoic acid
CID 42943745
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 42942600
2,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-3-carboxamide
CID 94083341
2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride
CID 138396721
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94083431
1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590372
5-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 94022952
1,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazole-4-carboxamide
CID 94021725
1,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazole-4-carboxamide
CID 94021723
2-methylsulfonyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642293
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138
5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide
CID 75523052

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide?
The IUPAC name of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide (CID 47090989) is N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide is O=C(NCC(C1CCOC1)N1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide?
The InChIKey is PLIDCTWONUANTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c24-19(16-10-20-17-2-1-14(23(25)26)9-15(16)17)21-11-18(13-3-6-28-12-13)22-4-7-27-8-5-22/h1-2,9-10,13,18,20H,3-8,11-12H2,(H,21,24).
What are the key properties of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide?
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide is sourced from PubChem (CID 47090989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).