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

C21H26N4O — CID 171555251

IUPACethane;1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol
SMILESCC.CCC(O)C1C=C(C)C(c2cc3cnc4nccc4c3c[nH]2)=CN1
InChIInChI=1S/C19H20N4O.C2H6/c1-3-18(24)17-6-11(2)14(9-22-17)16-7-12-8-23-19-13(4-5-20-19)15(12)10-21-16;1-2/h4-10,17-18,21-22,24H,3H2,1-2H3;1-2H3
InChIKeyTVWYXCHGQVRHLL-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.17
Rot. Bonds3

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

ethane;1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol (PubChem CID 171555251) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is ethane;1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol.

Molecular Properties

Compound Nameethane;1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol
PubChem CID171555251
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Nameethane;1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol
SMILESCC.CCC(O)C1C=C(C)C(c2cc3cnc4nccc4c3c[nH]2)=CN1
InChIInChI=1S/C19H20N4O.C2H6/c1-3-18(24)17-6-11(2)14(9-22-17)16-7-12-8-23-19-13(4-5-20-19)15(12)10-21-16;1-2/h4-10,17-18,21-22,24H,3H2,1-2H3;1-2H3
InChIKeyTVWYXCHGQVRHLL-UHFFFAOYSA-N
XLogP4.17
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-ol
CID 136418789
1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-3-ol
CID 136418790
(4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol
CID 171555068
(5Z,6Z,8E)-5-butan-2-ylidene-7-methyl-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol
CID 171555113
1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol
CID 171555252
1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol
CID 171556030
(6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol;propane
CID 171556107
1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]butan-1-ol
CID 171556251
(6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol
CID 171556108

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol?
The IUPAC name of ethane;1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol (CID 171555251) is ethane;1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol.
What is the SMILES notation for ethane;1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol?
The canonical SMILES for ethane;1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol is CC.CCC(O)C1C=C(C)C(c2cc3cnc4nccc4c3c[nH]2)=CN1.
What is the InChIKey of ethane;1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol?
The InChIKey is TVWYXCHGQVRHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.C2H6/c1-3-18(24)17-6-11(2)14(9-22-17)16-7-12-8-23-19-13(4-5-20-19)15(12)10-21-16;1-2/h4-10,17-18,21-22,24H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol?
ethane;1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol has a molecular weight of 350.47 g/mol, XLogP of 4.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-methyl-5-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol is sourced from PubChem (CID 171555251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).