3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide

C26H23ClN4O3 — CID 11784791

IUPAC3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide
SMILESO=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C26H23ClN4O3/c27-20-15-28-23-14-17(9-12-19(20)23)26(34)30-22-5-3-4-21(22)29-25(33)16-7-10-18(11-8-16)31-13-2-1-6-24(31)32/h1-2,6-15,21-22,28H,3-5H2,(H,29,33)(H,30,34)/t21-,22+/m0/s1
InChIKeyODGFDBIJIWGKES-FCHUYYIVSA-N
MW474.95 g/mol
LogP4.05
Rot. Bonds5

About 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide

3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide (PubChem CID 11784791) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide
PubChem CID11784791
Molecular FormulaC26H23ClN4O3
Molecular Weight474.95 g/mol
Exact Mass474.15
IUPAC Name3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide
SMILESO=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C26H23ClN4O3/c27-20-15-28-23-14-17(9-12-19(20)23)26(34)30-22-5-3-4-21(22)29-25(33)16-7-10-18(11-8-16)31-13-2-1-6-24(31)32/h1-2,6-15,21-22,28H,3-5H2,(H,29,33)(H,30,34)/t21-,22+/m0/s1
InChIKeyODGFDBIJIWGKES-FCHUYYIVSA-N
XLogP4.05
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide?
The IUPAC name of 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide (CID 11784791) is 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide?
The canonical SMILES for 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide is O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide?
The InChIKey is ODGFDBIJIWGKES-FCHUYYIVSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c27-20-15-28-23-14-17(9-12-19(20)23)26(34)30-22-5-3-4-21(22)29-25(33)16-7-10-18(11-8-16)31-13-2-1-6-24(31)32/h1-2,6-15,21-22,28H,3-5H2,(H,29,33)(H,30,34)/t21-,22+/m0/s1.
What are the key properties of 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide?
3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide has a molecular weight of 474.95 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 11784791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).