5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide

C28H21ClN4O3 — CID 10368587

IUPAC5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide
SMILESO=C(NC(C(=O)Nc1ccc(-n2ccccc2=O)cc1)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C28H21ClN4O3/c29-20-9-14-23-19(16-20)17-24(31-23)27(35)32-26(18-6-2-1-3-7-18)28(36)30-21-10-12-22(13-11-21)33-15-5-4-8-25(33)34/h1-17,26,31H,(H,30,36)(H,32,35)
InChIKeyWBFXXODIGKCXFO-UHFFFAOYSA-N
MW496.95 g/mol
LogP5.08
Rot. Bonds6

About 5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide

5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide (PubChem CID 10368587) has the molecular formula C28H21ClN4O3 and a molecular weight of 496.95 g/mol. Its IUPAC name is 5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide
PubChem CID10368587
Molecular FormulaC28H21ClN4O3
Molecular Weight496.95 g/mol
Exact Mass496.13
IUPAC Name5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide
SMILESO=C(NC(C(=O)Nc1ccc(-n2ccccc2=O)cc1)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C28H21ClN4O3/c29-20-9-14-23-19(16-20)17-24(31-23)27(35)32-26(18-6-2-1-3-7-18)28(36)30-21-10-12-22(13-11-21)33-15-5-4-8-25(33)34/h1-17,26,31H,(H,30,36)(H,32,35)
InChIKeyWBFXXODIGKCXFO-UHFFFAOYSA-N
XLogP5.08
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.95
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[(1S,2R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide
CID 11213659
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide
CID 55963560
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553
N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide
CID 166223466
5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
CID 10448389
N-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 69439396
5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002786
3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide
CID 69440910
(2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide
CID 158824872
(4S)-5-anilino-4-[[(2S)-3-carboxy-2-[[(2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(2-chlorophenyl)propanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 155514892
5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide
CID 10293735

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide (CID 10368587) is 5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide is O=C(NC(C(=O)Nc1ccc(-n2ccccc2=O)cc1)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide?
The InChIKey is WBFXXODIGKCXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN4O3/c29-20-9-14-23-19(16-20)17-24(31-23)27(35)32-26(18-6-2-1-3-7-18)28(36)30-21-10-12-22(13-11-21)33-15-5-4-8-25(33)34/h1-17,26,31H,(H,30,36)(H,32,35).
What are the key properties of 5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide has a molecular weight of 496.95 g/mol, XLogP of 5.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10368587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).