5-chloro-6-ethoxy-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]pyridine-3-carboxamide

C15H15ClFN3O2 — CID 97260007

IUPAC5-chloro-6-ethoxy-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]pyridine-3-carboxamide
SMILESCCOc1ncc(C(=O)N[C@@H](C)c2cncc(F)c2)cc1Cl
InChIInChI=1S/C15H15ClFN3O2/c1-3-22-15-13(16)5-11(7-19-15)14(21)20-9(2)10-4-12(17)8-18-6-10/h4-9H,3H2,1-2H3,(H,20,21)/t9-/m0/s1
InChIKeyZMZHWLNWQIUDRC-VIFPVBQESA-N
MW323.76 g/mol
LogP3.16
Rot. Bonds5

About 5-chloro-6-ethoxy-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]pyridine-3-carboxamide

5-chloro-6-ethoxy-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]pyridine-3-carboxamide (PubChem CID 97260007) has the molecular formula C15H15ClFN3O2 and a molecular weight of 323.76 g/mol. Its IUPAC name is 5-chloro-6-ethoxy-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-ethoxy-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]pyridine-3-carboxamide
PubChem CID97260007
Molecular FormulaC15H15ClFN3O2
Molecular Weight323.76 g/mol
Exact Mass323.08
IUPAC Name5-chloro-6-ethoxy-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]pyridine-3-carboxamide
SMILESCCOc1ncc(C(=O)N[C@@H](C)c2cncc(F)c2)cc1Cl
InChIInChI=1S/C15H15ClFN3O2/c1-3-22-15-13(16)5-11(7-19-15)14(21)20-9(2)10-4-12(17)8-18-6-10/h4-9H,3H2,1-2H3,(H,20,21)/t9-/m0/s1
InChIKeyZMZHWLNWQIUDRC-VIFPVBQESA-N
XLogP3.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 113339663
5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62174665
ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694602
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 51292691
2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide
CID 113382018
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 2449849
5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide
CID 9051064
N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide
CID 104786575
1-[(3-chloro-2-methoxyphenyl)methyl]-3-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]urea
CID 138019424
N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 104786627

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethoxy-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-ethoxy-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]pyridine-3-carboxamide (CID 97260007) is 5-chloro-6-ethoxy-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-ethoxy-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-ethoxy-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]pyridine-3-carboxamide is CCOc1ncc(C(=O)N[C@@H](C)c2cncc(F)c2)cc1Cl.
What is the InChIKey of 5-chloro-6-ethoxy-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]pyridine-3-carboxamide?
The InChIKey is ZMZHWLNWQIUDRC-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15ClFN3O2/c1-3-22-15-13(16)5-11(7-19-15)14(21)20-9(2)10-4-12(17)8-18-6-10/h4-9H,3H2,1-2H3,(H,20,21)/t9-/m0/s1.
What are the key properties of 5-chloro-6-ethoxy-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]pyridine-3-carboxamide?
5-chloro-6-ethoxy-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]pyridine-3-carboxamide has a molecular weight of 323.76 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethoxy-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 97260007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).