N-[(1R)-1-(4-cyanophenyl)ethyl]-1-[(5-fluoro-2-pyridinyl)methyl]-2-oxo-6-propan-2-yl-1,8-naphthyridine-3-carboxamide

C27H24FN5O2 — CID 166831281

IUPACN-[(1R)-1-(4-cyanophenyl)ethyl]-1-[(5-fluoro-2-pyridinyl)methyl]-2-oxo-6-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC(C)c1cnc2c(c1)cc(C(=O)N[C@H](C)c1ccc(C#N)cc1)c(=O)n2Cc1ccc(F)cn1
InChIInChI=1S/C27H24FN5O2/c1-16(2)21-10-20-11-24(26(34)32-17(3)19-6-4-18(12-29)5-7-19)27(35)33(25(20)31-13-21)15-23-9-8-22(28)14-30-23/h4-11,13-14,16-17H,15H2,1-3H3,(H,32,34)/t17-/m1/s1
InChIKeyFYIPQLKWMKISHY-QGZVFWFLSA-N
MW469.52 g/mol
LogP4.46
Rot. Bonds6

About N-[(1R)-1-(4-cyanophenyl)ethyl]-1-[(5-fluoro-2-pyridinyl)methyl]-2-oxo-6-propan-2-yl-1,8-naphthyridine-3-carboxamide

N-[(1R)-1-(4-cyanophenyl)ethyl]-1-[(5-fluoro-2-pyridinyl)methyl]-2-oxo-6-propan-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 166831281) has the molecular formula C27H24FN5O2 and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[(1R)-1-(4-cyanophenyl)ethyl]-1-[(5-fluoro-2-pyridinyl)methyl]-2-oxo-6-propan-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-cyanophenyl)ethyl]-1-[(5-fluoro-2-pyridinyl)methyl]-2-oxo-6-propan-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID166831281
Molecular FormulaC27H24FN5O2
Molecular Weight469.52 g/mol
Exact Mass469.19
IUPAC NameN-[(1R)-1-(4-cyanophenyl)ethyl]-1-[(5-fluoro-2-pyridinyl)methyl]-2-oxo-6-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC(C)c1cnc2c(c1)cc(C(=O)N[C@H](C)c1ccc(C#N)cc1)c(=O)n2Cc1ccc(F)cn1
InChIInChI=1S/C27H24FN5O2/c1-16(2)21-10-20-11-24(26(34)32-17(3)19-6-4-18(12-29)5-7-19)27(35)33(25(20)31-13-21)15-23-9-8-22(28)14-30-23/h4-11,13-14,16-17H,15H2,1-3H3,(H,32,34)/t17-/m1/s1
InChIKeyFYIPQLKWMKISHY-QGZVFWFLSA-N
XLogP4.46
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-cyanophenyl)ethyl]-1-[(5-fluoro-2-pyridinyl)methyl]-2-oxo-6-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-cyanophenyl)ethyl]-1-[(5-fluoro-2-pyridinyl)methyl]-2-oxo-6-propan-2-yl-1,8-naphthyridine-3-carboxamide (CID 166831281) is N-[(1R)-1-(4-cyanophenyl)ethyl]-1-[(5-fluoro-2-pyridinyl)methyl]-2-oxo-6-propan-2-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-cyanophenyl)ethyl]-1-[(5-fluoro-2-pyridinyl)methyl]-2-oxo-6-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-cyanophenyl)ethyl]-1-[(5-fluoro-2-pyridinyl)methyl]-2-oxo-6-propan-2-yl-1,8-naphthyridine-3-carboxamide is CC(C)c1cnc2c(c1)cc(C(=O)N[C@H](C)c1ccc(C#N)cc1)c(=O)n2Cc1ccc(F)cn1.
What is the InChIKey of N-[(1R)-1-(4-cyanophenyl)ethyl]-1-[(5-fluoro-2-pyridinyl)methyl]-2-oxo-6-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is FYIPQLKWMKISHY-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H24FN5O2/c1-16(2)21-10-20-11-24(26(34)32-17(3)19-6-4-18(12-29)5-7-19)27(35)33(25(20)31-13-21)15-23-9-8-22(28)14-30-23/h4-11,13-14,16-17H,15H2,1-3H3,(H,32,34)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-cyanophenyl)ethyl]-1-[(5-fluoro-2-pyridinyl)methyl]-2-oxo-6-propan-2-yl-1,8-naphthyridine-3-carboxamide?
N-[(1R)-1-(4-cyanophenyl)ethyl]-1-[(5-fluoro-2-pyridinyl)methyl]-2-oxo-6-propan-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-cyanophenyl)ethyl]-1-[(5-fluoro-2-pyridinyl)methyl]-2-oxo-6-propan-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).