N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide

C21H25F2N3O2 — CID 67286979

IUPACN-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C(C)C)c1C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C21H25F2N3O2/c1-13(2)20-19(14(3)8-18(25-20)26-4-6-28-7-5-26)21(27)24-12-15-9-16(22)11-17(23)10-15/h8-11,13H,4-7,12H2,1-3H3,(H,24,27)
InChIKeySQCWGMWJOANZLX-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.56
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide

N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide (PubChem CID 67286979) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide
PubChem CID67286979
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC NameN-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C(C)C)c1C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C21H25F2N3O2/c1-13(2)20-19(14(3)8-18(25-20)26-4-6-28-7-5-26)21(27)24-12-15-9-16(22)11-17(23)10-15/h8-11,13H,4-7,12H2,1-3H3,(H,24,27)
InChIKeySQCWGMWJOANZLX-UHFFFAOYSA-N
XLogP3.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide (CID 67286979) is N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide is Cc1cc(N2CCOCC2)nc(C(C)C)c1C(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide?
The InChIKey is SQCWGMWJOANZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-13(2)20-19(14(3)8-18(25-20)26-4-6-28-7-5-26)21(27)24-12-15-9-16(22)11-17(23)10-15/h8-11,13H,4-7,12H2,1-3H3,(H,24,27).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide?
N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 67286979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).