ethane;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C17H22N4O2 — CID 144741888

IUPACethane;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC.COc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C15H16N4O2.C2H6/c1-21-13-6-12(7-17-9-13)11-5-10-3-2-4-19(15(16)20)14(10)18-8-11;1-2/h5-9H,2-4H2,1H3,(H2,16,20);1-2H3
InChIKeyRIZOTMSWASEJMD-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.01
Rot. Bonds2

About ethane;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

ethane;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 144741888) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is ethane;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Nameethane;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID144741888
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Nameethane;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC.COc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C15H16N4O2.C2H6/c1-21-13-6-12(7-17-9-13)11-5-10-3-2-4-19(15(16)20)14(10)18-8-11;1-2/h5-9H,2-4H2,1H3,(H2,16,20);1-2H3
InChIKeyRIZOTMSWASEJMD-UHFFFAOYSA-N
XLogP3.01
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of ethane;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 144741888) is ethane;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for ethane;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for ethane;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC.COc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of ethane;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is RIZOTMSWASEJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2.C2H6/c1-21-13-6-12(7-17-9-13)11-5-10-3-2-4-19(15(16)20)14(10)18-8-11;1-2/h5-9H,2-4H2,1H3,(H2,16,20);1-2H3.
What are the key properties of ethane;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
ethane;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 144741888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).