6-(5-cyano-2-pyridinyl)-N-[2-(4-fluorophenyl)propan-2-yl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C30H29FN6O3 — CID 166831373

IUPAC6-(5-cyano-2-pyridinyl)-N-[2-(4-fluorophenyl)propan-2-yl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2cc(-c3ccc(C#N)cn3)cnc2n(CCN2CCOCC2)c1=O)c1ccc(F)cc1
InChIInChI=1S/C30H29FN6O3/c1-30(2,23-4-6-24(31)7-5-23)35-28(38)25-16-21-15-22(26-8-3-20(17-32)18-33-26)19-34-27(21)37(29(25)39)10-9-36-11-13-40-14-12-36/h3-8,15-16,18-19H,9-14H2,1-2H3,(H,35,38)
InChIKeySYCUZLWMCCDVTC-UHFFFAOYSA-N
MW540.60 g/mol
LogP3.47
Rot. Bonds7

About 6-(5-cyano-2-pyridinyl)-N-[2-(4-fluorophenyl)propan-2-yl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

6-(5-cyano-2-pyridinyl)-N-[2-(4-fluorophenyl)propan-2-yl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831373) has the molecular formula C30H29FN6O3 and a molecular weight of 540.60 g/mol. Its IUPAC name is 6-(5-cyano-2-pyridinyl)-N-[2-(4-fluorophenyl)propan-2-yl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyano-2-pyridinyl)-N-[2-(4-fluorophenyl)propan-2-yl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID166831373
Molecular FormulaC30H29FN6O3
Molecular Weight540.60 g/mol
Exact Mass540.23
IUPAC Name6-(5-cyano-2-pyridinyl)-N-[2-(4-fluorophenyl)propan-2-yl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2cc(-c3ccc(C#N)cn3)cnc2n(CCN2CCOCC2)c1=O)c1ccc(F)cc1
InChIInChI=1S/C30H29FN6O3/c1-30(2,23-4-6-24(31)7-5-23)35-28(38)25-16-21-15-22(26-8-3-20(17-32)18-33-26)19-34-27(21)37(29(25)39)10-9-36-11-13-40-14-12-36/h3-8,15-16,18-19H,9-14H2,1-2H3,(H,35,38)
InChIKeySYCUZLWMCCDVTC-UHFFFAOYSA-N
XLogP3.47
TPSA113.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.60
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyano-2-pyridinyl)-N-[2-(4-fluorophenyl)propan-2-yl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(5-cyano-2-pyridinyl)-N-[2-(4-fluorophenyl)propan-2-yl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831373) is 6-(5-cyano-2-pyridinyl)-N-[2-(4-fluorophenyl)propan-2-yl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyano-2-pyridinyl)-N-[2-(4-fluorophenyl)propan-2-yl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyano-2-pyridinyl)-N-[2-(4-fluorophenyl)propan-2-yl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC(C)(NC(=O)c1cc2cc(-c3ccc(C#N)cn3)cnc2n(CCN2CCOCC2)c1=O)c1ccc(F)cc1.
What is the InChIKey of 6-(5-cyano-2-pyridinyl)-N-[2-(4-fluorophenyl)propan-2-yl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is SYCUZLWMCCDVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN6O3/c1-30(2,23-4-6-24(31)7-5-23)35-28(38)25-16-21-15-22(26-8-3-20(17-32)18-33-26)19-34-27(21)37(29(25)39)10-9-36-11-13-40-14-12-36/h3-8,15-16,18-19H,9-14H2,1-2H3,(H,35,38).
What are the key properties of 6-(5-cyano-2-pyridinyl)-N-[2-(4-fluorophenyl)propan-2-yl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
6-(5-cyano-2-pyridinyl)-N-[2-(4-fluorophenyl)propan-2-yl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 540.60 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyano-2-pyridinyl)-N-[2-(4-fluorophenyl)propan-2-yl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).