N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide

C18H16F4N2O2 — CID 58368069

IUPACN-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
SMILESO=C(N[C@@H](C1CC1)C(F)(F)F)c1ccc(OCc2cccc(F)c2)nc1
InChIInChI=1S/C18H16F4N2O2/c19-14-3-1-2-11(8-14)10-26-15-7-6-13(9-23-15)17(25)24-16(12-4-5-12)18(20,21)22/h1-3,6-9,12,16H,4-5,10H2,(H,24,25)/t16-/m0/s1
InChIKeyZSCSDBPLJVIOSK-INIZCTEOSA-N
MW368.33 g/mol
LogP3.87
Rot. Bonds6

About N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide

N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide (PubChem CID 58368069) has the molecular formula C18H16F4N2O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
PubChem CID58368069
Molecular FormulaC18H16F4N2O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC NameN-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
SMILESO=C(N[C@@H](C1CC1)C(F)(F)F)c1ccc(OCc2cccc(F)c2)nc1
InChIInChI=1S/C18H16F4N2O2/c19-14-3-1-2-11(8-14)10-26-15-7-6-13(9-23-15)17(25)24-16(12-4-5-12)18(20,21)22/h1-3,6-9,12,16H,4-5,10H2,(H,24,25)/t16-/m0/s1
InChIKeyZSCSDBPLJVIOSK-INIZCTEOSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide (CID 58368069) is N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide is O=C(N[C@@H](C1CC1)C(F)(F)F)c1ccc(OCc2cccc(F)c2)nc1.
What is the InChIKey of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
The InChIKey is ZSCSDBPLJVIOSK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16F4N2O2/c19-14-3-1-2-11(8-14)10-26-15-7-6-13(9-23-15)17(25)24-16(12-4-5-12)18(20,21)22/h1-3,6-9,12,16H,4-5,10H2,(H,24,25)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide has a molecular weight of 368.33 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 58368069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).