(1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine

C19H19FN4O — CID 95900102

IUPAC(1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
SMILESCN(Cc1nnc(C2CC2)o1)[C@@H](c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C19H19FN4O/c1-24(12-17-22-23-19(25-17)14-4-5-14)18(15-3-2-10-21-11-15)13-6-8-16(20)9-7-13/h2-3,6-11,14,18H,4-5,12H2,1H3/t18-/m0/s1
InChIKeyADQIYWVIWFZTCJ-SFHVURJKSA-N
MW338.39 g/mol
LogP3.70
Rot. Bonds6

About (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine

(1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 95900102) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
PubChem CID95900102
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name(1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
SMILESCN(Cc1nnc(C2CC2)o1)[C@@H](c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C19H19FN4O/c1-24(12-17-22-23-19(25-17)14-4-5-14)18(15-3-2-10-21-11-15)13-6-8-16(20)9-7-13/h2-3,6-11,14,18H,4-5,12H2,1H3/t18-/m0/s1
InChIKeyADQIYWVIWFZTCJ-SFHVURJKSA-N
XLogP3.70
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine?
The IUPAC name of (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine (CID 95900102) is (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine is CN(Cc1nnc(C2CC2)o1)[C@@H](c1ccc(F)cc1)c1cccnc1.
What is the InChIKey of (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine?
The InChIKey is ADQIYWVIWFZTCJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-24(12-17-22-23-19(25-17)14-4-5-14)18(15-3-2-10-21-11-15)13-6-8-16(20)9-7-13/h2-3,6-11,14,18H,4-5,12H2,1H3/t18-/m0/s1.
What are the key properties of (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine?
(1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine has a molecular weight of 338.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 95900102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).