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

C20H11Cl3N4O2 — CID 44588589

IUPAC1-(4-chlorophenyl)-N-(3,5-dichloro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1cn(-c2ccc(Cl)cc2)c2ncccc2c1=O
InChIInChI=1S/C20H11Cl3N4O2/c21-11-3-5-12(6-4-11)27-10-14(18(28)13-2-1-7-25-19(13)27)20(29)26-17-15(22)8-24-9-16(17)23/h1-10H,(H,24,26,29)
InChIKeyZYQHRABKRQWTBJ-UHFFFAOYSA-N
MW445.69 g/mol
LogP4.99
Rot. Bonds3

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

1-(4-chlorophenyl)-N-(3,5-dichloro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 44588589) has the molecular formula C20H11Cl3N4O2 and a molecular weight of 445.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3,5-dichloro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3,5-dichloro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID44588589
Molecular FormulaC20H11Cl3N4O2
Molecular Weight445.69 g/mol
Exact Mass443.99
IUPAC Name1-(4-chlorophenyl)-N-(3,5-dichloro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1cn(-c2ccc(Cl)cc2)c2ncccc2c1=O
InChIInChI=1S/C20H11Cl3N4O2/c21-11-3-5-12(6-4-11)27-10-14(18(28)13-2-1-7-25-19(13)27)20(29)26-17-15(22)8-24-9-16(17)23/h1-10H,(H,24,26,29)
InChIKeyZYQHRABKRQWTBJ-UHFFFAOYSA-N
XLogP4.99
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.69
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3,5-dichloro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3,5-dichloro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 44588589) is 1-(4-chlorophenyl)-N-(3,5-dichloro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3,5-dichloro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3,5-dichloro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide is O=C(Nc1c(Cl)cncc1Cl)c1cn(-c2ccc(Cl)cc2)c2ncccc2c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3,5-dichloro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is ZYQHRABKRQWTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl3N4O2/c21-11-3-5-12(6-4-11)27-10-14(18(28)13-2-1-7-25-19(13)27)20(29)26-17-15(22)8-24-9-16(17)23/h1-10H,(H,24,26,29).
What are the key properties of 1-(4-chlorophenyl)-N-(3,5-dichloro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
1-(4-chlorophenyl)-N-(3,5-dichloro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 445.69 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3,5-dichloro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 44588589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).