N-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide

C22H23ClFN3O2 — CID 153289161

IUPACN-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1)C1[C@H]2CC(NC(=O)c3cncc(F)c3)C[C@@H]12
InChIInChI=1S/C22H23ClFN3O2/c1-2-19(27-21(28)12-3-5-14(23)6-4-12)20-17-8-16(9-18(17)20)26-22(29)13-7-15(24)11-25-10-13/h3-7,10-11,16-20H,2,8-9H2,1H3,(H,26,29)(H,27,28)/t16?,17-,18+,19?,20?
InChIKeyJYDAEHNHBJFJRG-HGVRWNOSSA-N
MW415.90 g/mol
LogP3.84
Rot. Bonds6

About N-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide

N-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide (PubChem CID 153289161) has the molecular formula C22H23ClFN3O2 and a molecular weight of 415.90 g/mol. Its IUPAC name is N-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide
PubChem CID153289161
Molecular FormulaC22H23ClFN3O2
Molecular Weight415.90 g/mol
Exact Mass415.15
IUPAC NameN-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1)C1[C@H]2CC(NC(=O)c3cncc(F)c3)C[C@@H]12
InChIInChI=1S/C22H23ClFN3O2/c1-2-19(27-21(28)12-3-5-14(23)6-4-12)20-17-8-16(9-18(17)20)26-22(29)13-7-15(24)11-25-10-13/h3-7,10-11,16-20H,2,8-9H2,1H3,(H,26,29)(H,27,28)/t16?,17-,18+,19?,20?
InChIKeyJYDAEHNHBJFJRG-HGVRWNOSSA-N
XLogP3.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide with MolForge

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Related Compounds

N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 790421
6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 2566057
N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 571790
N-benzyl-5-(4-chlorophenyl)nicotinamide
CID 46032908
5-(4-chlorophenyl)-N-(2-methylbenzyl)nicotinamide
CID 52945923
N-(2-chlorobenzyl)-5-(4-chlorophenyl)nicotinamide
CID 52948346
6-Chloro-N-phenethyl-nicotinamide
CID 857477
5-(4-Chloro-phenyl)-N-cyclohexyl-6-(2,4-dichloro-phenyl)-nicotinamide
CID 10217134
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-hexyl-nicotinamide
CID 10217166
N-Benzhydryl-6-chloro-1-oxy-nicotinamide
CID 21878293
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 87055294
N-[(R)-carbamoylphenylmethyl]-N-[(R)-6-chloro-4-fluoroindan-1-yl]-2-methylnicotinamide
CID 87055789

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide (CID 153289161) is N-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide is CCC(NC(=O)c1ccc(Cl)cc1)C1[C@H]2CC(NC(=O)c3cncc(F)c3)C[C@@H]12.
What is the InChIKey of N-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is JYDAEHNHBJFJRG-HGVRWNOSSA-N. The full InChI is InChI=1S/C22H23ClFN3O2/c1-2-19(27-21(28)12-3-5-14(23)6-4-12)20-17-8-16(9-18(17)20)26-22(29)13-7-15(24)11-25-10-13/h3-7,10-11,16-20H,2,8-9H2,1H3,(H,26,29)(H,27,28)/t16?,17-,18+,19?,20?.
What are the key properties of N-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide?
N-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 415.90 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 153289161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).