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

C21H25F2N3O2 — CID 67286647

IUPACN-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide
SMILESCCCc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C21H25F2N3O2/c1-3-4-18-20(14(2)11-19(25-18)26-7-9-28-10-8-26)21(27)24-13-15-5-6-16(22)17(23)12-15/h5-6,11-12H,3-4,7-10,13H2,1-2H3,(H,24,27)
InChIKeyPEROAAALFOPDSS-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.39
Rot. Bonds6

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

N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide (PubChem CID 67286647) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide
PubChem CID67286647
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide
SMILESCCCc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C21H25F2N3O2/c1-3-4-18-20(14(2)11-19(25-18)26-7-9-28-10-8-26)21(27)24-13-15-5-6-16(22)17(23)12-15/h5-6,11-12H,3-4,7-10,13H2,1-2H3,(H,24,27)
InChIKeyPEROAAALFOPDSS-UHFFFAOYSA-N
XLogP3.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide (CID 67286647) is N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide is CCCc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide?
The InChIKey is PEROAAALFOPDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-3-4-18-20(14(2)11-19(25-18)26-7-9-28-10-8-26)21(27)24-13-15-5-6-16(22)17(23)12-15/h5-6,11-12H,3-4,7-10,13H2,1-2H3,(H,24,27).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide is sourced from PubChem (CID 67286647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).