N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide

C25H15Cl2N5O2 — CID 10206520

IUPACN-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1cn(-c2cccc(-c3cccnc3)c2)c2ncccc2c1=O
InChIInChI=1S/C25H15Cl2N5O2/c26-20-12-29-13-21(27)22(20)31-25(34)19-14-32(24-18(23(19)33)7-3-9-30-24)17-6-1-4-15(10-17)16-5-2-8-28-11-16/h1-14H,(H,29,31,34)
InChIKeySTEDRGGTWQAHOX-UHFFFAOYSA-N
MW488.33 g/mol
LogP5.40
Rot. Bonds4

About N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide

N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 10206520) has the molecular formula C25H15Cl2N5O2 and a molecular weight of 488.33 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
PubChem CID10206520
Molecular FormulaC25H15Cl2N5O2
Molecular Weight488.33 g/mol
Exact Mass487.06
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1cn(-c2cccc(-c3cccnc3)c2)c2ncccc2c1=O
InChIInChI=1S/C25H15Cl2N5O2/c26-20-12-29-13-21(27)22(20)31-25(34)19-14-32(24-18(23(19)33)7-3-9-30-24)17-6-1-4-15(10-17)16-5-2-8-28-11-16/h1-14H,(H,29,31,34)
InChIKeySTEDRGGTWQAHOX-UHFFFAOYSA-N
XLogP5.40
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.33
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide (CID 10206520) is N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide is O=C(Nc1c(Cl)cncc1Cl)c1cn(-c2cccc(-c3cccnc3)c2)c2ncccc2c1=O.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is STEDRGGTWQAHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl2N5O2/c26-20-12-29-13-21(27)22(20)31-25(34)19-14-32(24-18(23(19)33)7-3-9-30-24)17-6-1-4-15(10-17)16-5-2-8-28-11-16/h1-14H,(H,29,31,34).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 488.33 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10206520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).