4-(2,4-difluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C22H20F2N4O2 — CID 118902492

IUPAC4-(2,4-difluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCOc1cc(CN2CCc3c(-c4ccc(F)cc4F)cc(C(N)=O)nc3C2)ccn1
InChIInChI=1S/C22H20F2N4O2/c1-30-21-8-13(4-6-26-21)11-28-7-5-16-17(15-3-2-14(23)9-18(15)24)10-19(22(25)29)27-20(16)12-28/h2-4,6,8-10H,5,7,11-12H2,1H3,(H2,25,29)
InChIKeyURBPVDLWYBJTSG-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.09
Rot. Bonds5

About 4-(2,4-difluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-(2,4-difluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118902492) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118902492
Molecular FormulaC22H20F2N4O2
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC Name4-(2,4-difluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCOc1cc(CN2CCc3c(-c4ccc(F)cc4F)cc(C(N)=O)nc3C2)ccn1
InChIInChI=1S/C22H20F2N4O2/c1-30-21-8-13(4-6-26-21)11-28-7-5-16-17(15-3-2-14(23)9-18(15)24)10-19(22(25)29)27-20(16)12-28/h2-4,6,8-10H,5,7,11-12H2,1H3,(H2,25,29)
InChIKeyURBPVDLWYBJTSG-UHFFFAOYSA-N
XLogP3.09
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(2,4-difluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118902492) is 4-(2,4-difluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is COc1cc(CN2CCc3c(-c4ccc(F)cc4F)cc(C(N)=O)nc3C2)ccn1.
What is the InChIKey of 4-(2,4-difluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is URBPVDLWYBJTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c1-30-21-8-13(4-6-26-21)11-28-7-5-16-17(15-3-2-14(23)9-18(15)24)10-19(22(25)29)27-20(16)12-28/h2-4,6,8-10H,5,7,11-12H2,1H3,(H2,25,29).
What are the key properties of 4-(2,4-difluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(2,4-difluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 410.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118902492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).