5-chloro-1-[(1R)-1-(2-fluorophenyl)ethyl]-2-iminopyridine-3-carboxamide

C14H13ClFN3O — CID 58150001

IUPAC5-chloro-1-[(1R)-1-(2-fluorophenyl)ethyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1\c(C(N)=O)cc(Cl)cn1[C@H](C)c1ccccc1F
InChIInChI=1S/C14H13ClFN3O/c1-8(10-4-2-3-5-12(10)16)19-7-9(15)6-11(13(19)17)14(18)20/h2-8,17H,1H3,(H2,18,20)/b17-13+/t8-/m1/s1
InChIKeyBJHAPLDONJERMS-JPTYOFTNSA-N
MW293.73 g/mol
LogP2.47
Rot. Bonds3

About 5-chloro-1-[(1R)-1-(2-fluorophenyl)ethyl]-2-iminopyridine-3-carboxamide

5-chloro-1-[(1R)-1-(2-fluorophenyl)ethyl]-2-iminopyridine-3-carboxamide (PubChem CID 58150001) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-chloro-1-[(1R)-1-(2-fluorophenyl)ethyl]-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(1R)-1-(2-fluorophenyl)ethyl]-2-iminopyridine-3-carboxamide
PubChem CID58150001
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name5-chloro-1-[(1R)-1-(2-fluorophenyl)ethyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1\c(C(N)=O)cc(Cl)cn1[C@H](C)c1ccccc1F
InChIInChI=1S/C14H13ClFN3O/c1-8(10-4-2-3-5-12(10)16)19-7-9(15)6-11(13(19)17)14(18)20/h2-8,17H,1H3,(H2,18,20)/b17-13+/t8-/m1/s1
InChIKeyBJHAPLDONJERMS-JPTYOFTNSA-N
XLogP2.47
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1R)-1-(2-fluorophenyl)ethyl]-2-iminopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(1R)-1-(2-fluorophenyl)ethyl]-2-iminopyridine-3-carboxamide (CID 58150001) is 5-chloro-1-[(1R)-1-(2-fluorophenyl)ethyl]-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(1R)-1-(2-fluorophenyl)ethyl]-2-iminopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(1R)-1-(2-fluorophenyl)ethyl]-2-iminopyridine-3-carboxamide is [H]/N=c1\c(C(N)=O)cc(Cl)cn1[C@H](C)c1ccccc1F.
What is the InChIKey of 5-chloro-1-[(1R)-1-(2-fluorophenyl)ethyl]-2-iminopyridine-3-carboxamide?
The InChIKey is BJHAPLDONJERMS-JPTYOFTNSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-8(10-4-2-3-5-12(10)16)19-7-9(15)6-11(13(19)17)14(18)20/h2-8,17H,1H3,(H2,18,20)/b17-13+/t8-/m1/s1.
What are the key properties of 5-chloro-1-[(1R)-1-(2-fluorophenyl)ethyl]-2-iminopyridine-3-carboxamide?
5-chloro-1-[(1R)-1-(2-fluorophenyl)ethyl]-2-iminopyridine-3-carboxamide has a molecular weight of 293.73 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1R)-1-(2-fluorophenyl)ethyl]-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 58150001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).