6-(6-chloro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C14H13ClN4O — CID 86305909

IUPAC6-(6-chloro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)N1CCCc2cc(-c3ccc(Cl)nc3)cnc21
InChIInChI=1S/C14H13ClN4O/c15-12-4-3-10(7-17-12)11-6-9-2-1-5-19(14(16)20)13(9)18-8-11/h3-4,6-8H,1-2,5H2,(H2,16,20)
InChIKeyDVWORDQIQZVLIE-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.63
Rot. Bonds1

About 6-(6-chloro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-(6-chloro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305909) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 6-(6-chloro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-(6-chloro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305909
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name6-(6-chloro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)N1CCCc2cc(-c3ccc(Cl)nc3)cnc21
InChIInChI=1S/C14H13ClN4O/c15-12-4-3-10(7-17-12)11-6-9-2-1-5-19(14(16)20)13(9)18-8-11/h3-4,6-8H,1-2,5H2,(H2,16,20)
InChIKeyDVWORDQIQZVLIE-UHFFFAOYSA-N
XLogP2.63
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-(6-chloro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305909) is 6-(6-chloro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-(6-chloro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-(6-chloro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is NC(=O)N1CCCc2cc(-c3ccc(Cl)nc3)cnc21.
What is the InChIKey of 6-(6-chloro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is DVWORDQIQZVLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-12-4-3-10(7-17-12)11-6-9-2-1-5-19(14(16)20)13(9)18-8-11/h3-4,6-8H,1-2,5H2,(H2,16,20).
What are the key properties of 6-(6-chloro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-(6-chloro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 288.74 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).