2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide

C23H20F2N6O2 — CID 167511866

IUPAC2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide
SMILESCNc1cc2ncc(-c3cc(NC(=O)c4ccnc(C(F)F)c4OC)cnc3C)cc2cn1
InChIInChI=1S/C23H20F2N6O2/c1-12-17(13-6-14-10-30-19(26-2)8-18(14)29-9-13)7-15(11-28-12)31-23(32)16-4-5-27-20(22(24)25)21(16)33-3/h4-11,22H,1-3H3,(H,26,30)(H,31,32)
InChIKeyFKZNBTHRAKJBQN-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.64
Rot. Bonds6

About 2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide

2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 167511866) has the molecular formula C23H20F2N6O2 and a molecular weight of 450.45 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide
PubChem CID167511866
Molecular FormulaC23H20F2N6O2
Molecular Weight450.45 g/mol
Exact Mass450.16
IUPAC Name2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide
SMILESCNc1cc2ncc(-c3cc(NC(=O)c4ccnc(C(F)F)c4OC)cnc3C)cc2cn1
InChIInChI=1S/C23H20F2N6O2/c1-12-17(13-6-14-10-30-19(26-2)8-18(14)29-9-13)7-15(11-28-12)31-23(32)16-4-5-27-20(22(24)25)21(16)33-3/h4-11,22H,1-3H3,(H,26,30)(H,31,32)
InChIKeyFKZNBTHRAKJBQN-UHFFFAOYSA-N
XLogP4.64
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide (CID 167511866) is 2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide is CNc1cc2ncc(-c3cc(NC(=O)c4ccnc(C(F)F)c4OC)cnc3C)cc2cn1.
What is the InChIKey of 2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is FKZNBTHRAKJBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O2/c1-12-17(13-6-14-10-30-19(26-2)8-18(14)29-9-13)7-15(11-28-12)31-23(32)16-4-5-27-20(22(24)25)21(16)33-3/h4-11,22H,1-3H3,(H,26,30)(H,31,32).
What are the key properties of 2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide?
2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 167511866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).