4-(3,4-difluorophenyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C22H17F5N4O — CID 118911022

IUPAC4-(3,4-difluorophenyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)c(F)c2)c2c(n1)CN(Cc1ccnc(C(F)(F)F)c1)CC2
InChIInChI=1S/C22H17F5N4O/c23-16-2-1-13(8-17(16)24)15-9-18(21(28)32)30-19-11-31(6-4-14(15)19)10-12-3-5-29-20(7-12)22(25,26)27/h1-3,5,7-9H,4,6,10-11H2,(H2,28,32)
InChIKeyLYUBOGMAXPZTCN-UHFFFAOYSA-N
MW448.40 g/mol
LogP4.10
Rot. Bonds4

About 4-(3,4-difluorophenyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-(3,4-difluorophenyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118911022) has the molecular formula C22H17F5N4O and a molecular weight of 448.40 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118911022
Molecular FormulaC22H17F5N4O
Molecular Weight448.40 g/mol
Exact Mass448.13
IUPAC Name4-(3,4-difluorophenyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)c(F)c2)c2c(n1)CN(Cc1ccnc(C(F)(F)F)c1)CC2
InChIInChI=1S/C22H17F5N4O/c23-16-2-1-13(8-17(16)24)15-9-18(21(28)32)30-19-11-31(6-4-14(15)19)10-12-3-5-29-20(7-12)22(25,26)27/h1-3,5,7-9H,4,6,10-11H2,(H2,28,32)
InChIKeyLYUBOGMAXPZTCN-UHFFFAOYSA-N
XLogP4.10
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(3,4-difluorophenyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118911022) is 4-(3,4-difluorophenyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)c(F)c2)c2c(n1)CN(Cc1ccnc(C(F)(F)F)c1)CC2.
What is the InChIKey of 4-(3,4-difluorophenyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is LYUBOGMAXPZTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F5N4O/c23-16-2-1-13(8-17(16)24)15-9-18(21(28)32)30-19-11-31(6-4-14(15)19)10-12-3-5-29-20(7-12)22(25,26)27/h1-3,5,7-9H,4,6,10-11H2,(H2,28,32).
What are the key properties of 4-(3,4-difluorophenyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(3,4-difluorophenyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 448.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118911022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).