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

C20H24F2N4O2 — CID 56962444

IUPACN-[(3,5-difluorophenyl)methyl]-2-(dimethylamino)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(N(C)C)c1C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C20H24F2N4O2/c1-13-8-17(26-4-6-28-7-5-26)24-19(25(2)3)18(13)20(27)23-12-14-9-15(21)11-16(22)10-14/h8-11H,4-7,12H2,1-3H3,(H,23,27)
InChIKeyTULSMJROVNADGK-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.50
Rot. Bonds5

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

N-[(3,5-difluorophenyl)methyl]-2-(dimethylamino)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 56962444) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-(dimethylamino)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-(dimethylamino)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID56962444
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-(dimethylamino)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(N(C)C)c1C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C20H24F2N4O2/c1-13-8-17(26-4-6-28-7-5-26)24-19(25(2)3)18(13)20(27)23-12-14-9-15(21)11-16(22)10-14/h8-11H,4-7,12H2,1-3H3,(H,23,27)
InChIKeyTULSMJROVNADGK-UHFFFAOYSA-N
XLogP2.50
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(dimethylamino)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(dimethylamino)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 56962444) is N-[(3,5-difluorophenyl)methyl]-2-(dimethylamino)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-(dimethylamino)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-(dimethylamino)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is Cc1cc(N2CCOCC2)nc(N(C)C)c1C(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-(dimethylamino)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is TULSMJROVNADGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c1-13-8-17(26-4-6-28-7-5-26)24-19(25(2)3)18(13)20(27)23-12-14-9-15(21)11-16(22)10-14/h8-11H,4-7,12H2,1-3H3,(H,23,27).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-(dimethylamino)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
N-[(3,5-difluorophenyl)methyl]-2-(dimethylamino)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 390.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-(dimethylamino)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 56962444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).