3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide

C21H23BrN4O3 — CID 59508042

IUPAC3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc2[nH]c(-c3ccc[nH]c3=O)c(Br)c2c1
InChIInChI=1S/C21H23BrN4O3/c22-18-16-13-14(20(27)23-7-2-8-26-9-11-29-12-10-26)4-5-17(16)25-19(18)15-3-1-6-24-21(15)28/h1,3-6,13,25H,2,7-12H2,(H,23,27)(H,24,28)
InChIKeyJIFXVZUKZSPZSW-UHFFFAOYSA-N
MW459.34 g/mol
LogP2.74
Rot. Bonds6

About 3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide

3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide (PubChem CID 59508042) has the molecular formula C21H23BrN4O3 and a molecular weight of 459.34 g/mol. Its IUPAC name is 3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide
PubChem CID59508042
Molecular FormulaC21H23BrN4O3
Molecular Weight459.34 g/mol
Exact Mass458.10
IUPAC Name3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc2[nH]c(-c3ccc[nH]c3=O)c(Br)c2c1
InChIInChI=1S/C21H23BrN4O3/c22-18-16-13-14(20(27)23-7-2-8-26-9-11-29-12-10-26)4-5-17(16)25-19(18)15-3-1-6-24-21(15)28/h1,3-6,13,25H,2,7-12H2,(H,23,27)(H,24,28)
InChIKeyJIFXVZUKZSPZSW-UHFFFAOYSA-N
XLogP2.74
TPSA90.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indole-5-carboxamide
CID 46926953
N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-3-quinolin-6-yl-1H-indole-5-carboxamide
CID 59508059
N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 67424998
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 10132635
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 42691502
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide?
The IUPAC name of 3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide (CID 59508042) is 3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide?
The canonical SMILES for 3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide is O=C(NCCCN1CCOCC1)c1ccc2[nH]c(-c3ccc[nH]c3=O)c(Br)c2c1.
What is the InChIKey of 3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide?
The InChIKey is JIFXVZUKZSPZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O3/c22-18-16-13-14(20(27)23-7-2-8-26-9-11-29-12-10-26)4-5-17(16)25-19(18)15-3-1-6-24-21(15)28/h1,3-6,13,25H,2,7-12H2,(H,23,27)(H,24,28).
What are the key properties of 3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide?
3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide has a molecular weight of 459.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 59508042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).