6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

C23H26F2N6O2 — CID 164885430

IUPAC6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCC1C=c2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)F)CC3)cc2=NC1=O
InChIInChI=1S/C23H26F2N6O2/c1-3-15-11-17-18(29-22(15)32)10-14(12-27-17)13-30-6-8-31(9-7-30)19-5-4-16(23(33)26-2)28-20(19)21(24)25/h4-5,10-12,15,21H,3,6-9,13H2,1-2H3,(H,26,33)
InChIKeyYDTYHOKIWAERJF-UHFFFAOYSA-N
MW456.50 g/mol
LogP1.06
Rot. Bonds6

About 6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 164885430) has the molecular formula C23H26F2N6O2 and a molecular weight of 456.50 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID164885430
Molecular FormulaC23H26F2N6O2
Molecular Weight456.50 g/mol
Exact Mass456.21
IUPAC Name6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCC1C=c2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)F)CC3)cc2=NC1=O
InChIInChI=1S/C23H26F2N6O2/c1-3-15-11-17-18(29-22(15)32)10-14(12-27-17)13-30-6-8-31(9-7-30)19-5-4-16(23(33)26-2)28-20(19)21(24)25/h4-5,10-12,15,21H,3,6-9,13H2,1-2H3,(H,26,33)
InChIKeyYDTYHOKIWAERJF-UHFFFAOYSA-N
XLogP1.06
TPSA90.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 164885430) is 6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CCC1C=c2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)F)CC3)cc2=NC1=O.
What is the InChIKey of 6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is YDTYHOKIWAERJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N6O2/c1-3-15-11-17-18(29-22(15)32)10-14(12-27-17)13-30-6-8-31(9-7-30)19-5-4-16(23(33)26-2)28-20(19)21(24)25/h4-5,10-12,15,21H,3,6-9,13H2,1-2H3,(H,26,33).
What are the key properties of 6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 164885430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).