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

C26H23ClN4O3 — CID 11420126

IUPAC5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C26H23ClN4O3/c27-18-9-12-20-17(14-18)15-23(28-20)26(34)30-22-5-3-4-21(22)29-25(33)16-7-10-19(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
InChIKeyZXEJGKZWDFONOH-FCHUYYIVSA-N
MW474.95 g/mol
LogP4.05
Rot. Bonds5

About 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide

5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide (PubChem CID 11420126) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide
PubChem CID11420126
Molecular FormulaC26H23ClN4O3
Molecular Weight474.95 g/mol
Exact Mass474.15
IUPAC Name5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C26H23ClN4O3/c27-18-9-12-20-17(14-18)15-23(28-20)26(34)30-22-5-3-4-21(22)29-25(33)16-7-10-19(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
InChIKeyZXEJGKZWDFONOH-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 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide (CID 11420126) is 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide is O=C(N[C@H]1CCC[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide?
The InChIKey is ZXEJGKZWDFONOH-FCHUYYIVSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c27-18-9-12-20-17(14-18)15-23(28-20)26(34)30-22-5-3-4-21(22)29-25(33)16-7-10-19(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 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide?
5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-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 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 11420126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).