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

C22H22N4O2 — CID 86305963

IUPAC6-[5-[3-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCc1cccc(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)c1
InChIInChI=1S/C22H22N4O2/c1-28-14-15-4-2-5-16(8-15)18-10-19(12-24-11-18)20-9-17-6-3-7-26(22(23)27)21(17)25-13-20/h2,4-5,8-13H,3,6-7,14H2,1H3,(H2,23,27)
InChIKeyMMGFYOUMIJURJL-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.79
Rot. Bonds4

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

6-[5-[3-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305963) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-[5-[3-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-[3-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305963
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name6-[5-[3-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCc1cccc(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)c1
InChIInChI=1S/C22H22N4O2/c1-28-14-15-4-2-5-16(8-15)18-10-19(12-24-11-18)20-9-17-6-3-7-26(22(23)27)21(17)25-13-20/h2,4-5,8-13H,3,6-7,14H2,1H3,(H2,23,27)
InChIKeyMMGFYOUMIJURJL-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-[3-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-[3-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305963) is 6-[5-[3-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-[3-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-[3-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCc1cccc(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)c1.
What is the InChIKey of 6-[5-[3-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is MMGFYOUMIJURJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-14-15-4-2-5-16(8-15)18-10-19(12-24-11-18)20-9-17-6-3-7-26(22(23)27)21(17)25-13-20/h2,4-5,8-13H,3,6-7,14H2,1H3,(H2,23,27).
What are the key properties of 6-[5-[3-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-[3-(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-[3-(methoxymethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).