N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide

C22H21F3N4O — CID 46908198

IUPACN-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCC(F)(F)CC2)c(F)c1
InChIInChI=1S/C22H21F3N4O/c1-14-17(12-16-3-2-8-26-20(16)28-14)21(30)27-13-15-4-5-19(18(23)11-15)29-9-6-22(24,25)7-10-29/h2-5,8,11-12H,6-7,9-10,13H2,1H3,(H,27,30)
InChIKeyNPBLJCGRXTUEQG-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.24
Rot. Bonds4

About N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide

N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide (PubChem CID 46908198) has the molecular formula C22H21F3N4O and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
PubChem CID46908198
Molecular FormulaC22H21F3N4O
Molecular Weight414.43 g/mol
Exact Mass414.17
IUPAC NameN-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCC(F)(F)CC2)c(F)c1
InChIInChI=1S/C22H21F3N4O/c1-14-17(12-16-3-2-8-26-20(16)28-14)21(30)27-13-15-4-5-19(18(23)11-15)29-9-6-22(24,25)7-10-29/h2-5,8,11-12H,6-7,9-10,13H2,1H3,(H,27,30)
InChIKeyNPBLJCGRXTUEQG-UHFFFAOYSA-N
XLogP4.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide (CID 46908198) is N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCC(F)(F)CC2)c(F)c1.
What is the InChIKey of N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is NPBLJCGRXTUEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O/c1-14-17(12-16-3-2-8-26-20(16)28-14)21(30)27-13-15-4-5-19(18(23)11-15)29-9-6-22(24,25)7-10-29/h2-5,8,11-12H,6-7,9-10,13H2,1H3,(H,27,30).
What are the key properties of N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 46908198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).