N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

C17H13F2N3O2 — CID 7619615

IUPACN-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2c(F)cccc2F)cc2cccnc21
InChIInChI=1S/C17H13F2N3O2/c1-22-15-10(4-3-7-20-15)8-11(17(22)24)16(23)21-9-12-13(18)5-2-6-14(12)19/h2-8H,9H2,1H3,(H,21,23)
InChIKeyKYYYTTMGMSEQOC-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.14
Rot. Bonds3

About N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7619615) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7619615
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2c(F)cccc2F)cc2cccnc21
InChIInChI=1S/C17H13F2N3O2/c1-22-15-10(4-3-7-20-15)8-11(17(22)24)16(23)21-9-12-13(18)5-2-6-14(12)19/h2-8H,9H2,1H3,(H,21,23)
InChIKeyKYYYTTMGMSEQOC-UHFFFAOYSA-N
XLogP2.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619354
dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium
CID 7619386
1-methyl-2-oxo-N-(3-phenylpropyl)-1,8-naphthyridine-3-carboxamide
CID 7619447
N-(2,4-difluorophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619538
N-[2-(3-methoxyphenyl)ethyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619614
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619624
N-benzhydryl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619434
N-(2-chlorophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619491
N-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619564
1-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7619432
N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619271
N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 129214459

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7619615) is N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCc2c(F)cccc2F)cc2cccnc21.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is KYYYTTMGMSEQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-22-15-10(4-3-7-20-15)8-11(17(22)24)16(23)21-9-12-13(18)5-2-6-14(12)19/h2-8H,9H2,1H3,(H,21,23).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7619615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).