1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol

C20H22N4O — CID 171556251

IUPAC1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol
SMILESCCCC(O)C1C=C(C)C(c2cc3cnc4nccc4c3c[nH]2)=CN1
InChIInChI=1S/C20H22N4O/c1-3-4-19(25)18-7-12(2)15(10-23-18)17-8-13-9-24-20-14(5-6-21-20)16(13)11-22-17/h5-11,18-19,22-23,25H,3-4H2,1-2H3
InChIKeyDVWKUTVXUVAULA-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.53
Rot. Bonds4

About 1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol

1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol (PubChem CID 171556251) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol.

Molecular Properties

Compound Name1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol
PubChem CID171556251
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol
SMILESCCCC(O)C1C=C(C)C(c2cc3cnc4nccc4c3c[nH]2)=CN1
InChIInChI=1S/C20H22N4O/c1-3-4-19(25)18-7-12(2)15(10-23-18)17-8-13-9-24-20-14(5-6-21-20)16(13)11-22-17/h5-11,18-19,22-23,25H,3-4H2,1-2H3
InChIKeyDVWKUTVXUVAULA-UHFFFAOYSA-N
XLogP3.53
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol?
The IUPAC name of 1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol (CID 171556251) is 1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol.
What is the SMILES notation for 1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol?
The canonical SMILES for 1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol is CCCC(O)C1C=C(C)C(c2cc3cnc4nccc4c3c[nH]2)=CN1.
What is the InChIKey of 1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol?
The InChIKey is DVWKUTVXUVAULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-4-19(25)18-7-12(2)15(10-23-18)17-8-13-9-24-20-14(5-6-21-20)16(13)11-22-17/h5-11,18-19,22-23,25H,3-4H2,1-2H3.
What are the key properties of 1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol?
1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol has a molecular weight of 334.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol is sourced from PubChem (CID 171556251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).