2-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

C21H24FN3O2 — CID 67287364

IUPAC2-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C21H24FN3O2/c1-14-11-18(25-7-9-27-10-8-25)24-20(16-5-6-16)19(14)21(26)23-13-15-3-2-4-17(22)12-15/h2-4,11-12,16H,5-10,13H2,1H3,(H,23,26)
InChIKeyLSNNVAQGIIAPRS-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.17
Rot. Bonds5

About 2-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

2-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 67287364) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID67287364
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name2-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C21H24FN3O2/c1-14-11-18(25-7-9-27-10-8-25)24-20(16-5-6-16)19(14)21(26)23-13-15-3-2-4-17(22)12-15/h2-4,11-12,16H,5-10,13H2,1H3,(H,23,26)
InChIKeyLSNNVAQGIIAPRS-UHFFFAOYSA-N
XLogP3.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 67287364) is 2-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is Cc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is LSNNVAQGIIAPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-14-11-18(25-7-9-27-10-8-25)24-20(16-5-6-16)19(14)21(26)23-13-15-3-2-4-17(22)12-15/h2-4,11-12,16H,5-10,13H2,1H3,(H,23,26).
What are the key properties of 2-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
2-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 67287364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).