N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide

C20H24F2N4O3 — CID 167777409

IUPACN-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide
SMILESCOc1nc(C)ccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1OC(F)F
InChIInChI=1S/C20H24F2N4O3/c1-13-4-6-15(19(23-13)28-3)18(27)24-16-7-5-14(12-17(16)29-20(21)22)26-10-8-25(2)9-11-26/h4-7,12,20H,8-11H2,1-3H3,(H,24,27)
InChIKeyHLWSCAFLWMEUCF-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide

N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide (PubChem CID 167777409) has the molecular formula C20H24F2N4O3 and a molecular weight of 406.43 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide
PubChem CID167777409
Molecular FormulaC20H24F2N4O3
Molecular Weight406.43 g/mol
Exact Mass406.18
IUPAC NameN-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide
SMILESCOc1nc(C)ccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1OC(F)F
InChIInChI=1S/C20H24F2N4O3/c1-13-4-6-15(19(23-13)28-3)18(27)24-16-7-5-14(12-17(16)29-20(21)22)26-10-8-25(2)9-11-26/h4-7,12,20H,8-11H2,1-3H3,(H,24,27)
InChIKeyHLWSCAFLWMEUCF-UHFFFAOYSA-N
XLogP3.00
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide (CID 167777409) is N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide is COc1nc(C)ccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide?
The InChIKey is HLWSCAFLWMEUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O3/c1-13-4-6-15(19(23-13)28-3)18(27)24-16-7-5-14(12-17(16)29-20(21)22)26-10-8-25(2)9-11-26/h4-7,12,20H,8-11H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide?
N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide has a molecular weight of 406.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 167777409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).