6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]naphthalene-2-carboxamide

C29H26ClN3O3 — CID 11352538

IUPAC6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]naphthalene-2-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2cc(Cl)ccc2c1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C29H26ClN3O3/c30-23-13-10-20-17-22(9-8-21(20)18-23)29(36)32-26-6-2-1-5-25(26)31-28(35)19-11-14-24(15-12-19)33-16-4-3-7-27(33)34/h3-4,7-18,25-26H,1-2,5-6H2,(H,31,35)(H,32,36)/t25-,26+/m0/s1
InChIKeyPXYYKXLLBGGDDF-IZZNHLLZSA-N
MW500.00 g/mol
LogP5.12
Rot. Bonds5

About 6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]naphthalene-2-carboxamide

6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]naphthalene-2-carboxamide (PubChem CID 11352538) has the molecular formula C29H26ClN3O3 and a molecular weight of 500.00 g/mol. Its IUPAC name is 6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]naphthalene-2-carboxamide
PubChem CID11352538
Molecular FormulaC29H26ClN3O3
Molecular Weight500.00 g/mol
Exact Mass499.17
IUPAC Name6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]naphthalene-2-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2cc(Cl)ccc2c1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C29H26ClN3O3/c30-23-13-10-20-17-22(9-8-21(20)18-23)29(36)32-26-6-2-1-5-25(26)31-28(35)19-11-14-24(15-12-19)33-16-4-3-7-27(33)34/h3-4,7-18,25-26H,1-2,5-6H2,(H,31,35)(H,32,36)/t25-,26+/m0/s1
InChIKeyPXYYKXLLBGGDDF-IZZNHLLZSA-N
XLogP5.12
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.00
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]naphthalene-2-carboxamide?
The IUPAC name of 6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]naphthalene-2-carboxamide (CID 11352538) is 6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]naphthalene-2-carboxamide is O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2cc(Cl)ccc2c1)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]naphthalene-2-carboxamide?
The InChIKey is PXYYKXLLBGGDDF-IZZNHLLZSA-N. The full InChI is InChI=1S/C29H26ClN3O3/c30-23-13-10-20-17-22(9-8-21(20)18-23)29(36)32-26-6-2-1-5-25(26)31-28(35)19-11-14-24(15-12-19)33-16-4-3-7-27(33)34/h3-4,7-18,25-26H,1-2,5-6H2,(H,31,35)(H,32,36)/t25-,26+/m0/s1.
What are the key properties of 6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]naphthalene-2-carboxamide?
6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]naphthalene-2-carboxamide has a molecular weight of 500.00 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]naphthalene-2-carboxamide is sourced from PubChem (CID 11352538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).