6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C22H22N4O2 — CID 86305964

IUPAC6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCc1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C22H22N4O2/c1-28-14-16-5-2-3-7-20(16)19-10-17(11-24-12-19)18-9-15-6-4-8-26(22(23)27)21(15)25-13-18/h2-3,5,7,9-13H,4,6,8,14H2,1H3,(H2,23,27)
InChIKeyMLTXEXOURYEUPD-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.79
Rot. Bonds4

About 6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305964) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305964
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCc1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C22H22N4O2/c1-28-14-16-5-2-3-7-20(16)19-10-17(11-24-12-19)18-9-15-6-4-8-26(22(23)27)21(15)25-13-18/h2-3,5,7,9-13H,4,6,8,14H2,1H3,(H2,23,27)
InChIKeyMLTXEXOURYEUPD-UHFFFAOYSA-N
XLogP3.79
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305964) is 6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCc1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of 6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is MLTXEXOURYEUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-14-16-5-2-3-7-20(16)19-10-17(11-24-12-19)18-9-15-6-4-8-26(22(23)27)21(15)25-13-18/h2-3,5,7,9-13H,4,6,8,14H2,1H3,(H2,23,27).
What are the key properties of 6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).