1-amino-3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]amino]propan-2-ol

C19H23N5O — CID 10149940

IUPAC1-amino-3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]amino]propan-2-ol
SMILESCN(C)c1ccc(-c2cc3ncccc3c(NCC(O)CN)n2)cc1
InChIInChI=1S/C19H23N5O/c1-24(2)14-7-5-13(6-8-14)17-10-18-16(4-3-9-21-18)19(23-17)22-12-15(25)11-20/h3-10,15,25H,11-12,20H2,1-2H3,(H,22,23)
InChIKeyXLZKRUWEKNKABO-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.09
Rot. Bonds6

About 1-amino-3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]amino]propan-2-ol

1-amino-3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]amino]propan-2-ol (PubChem CID 10149940) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-amino-3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]amino]propan-2-ol
PubChem CID10149940
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-amino-3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]amino]propan-2-ol
SMILESCN(C)c1ccc(-c2cc3ncccc3c(NCC(O)CN)n2)cc1
InChIInChI=1S/C19H23N5O/c1-24(2)14-7-5-13(6-8-14)17-10-18-16(4-3-9-21-18)19(23-17)22-12-15(25)11-20/h3-10,15,25H,11-12,20H2,1-2H3,(H,22,23)
InChIKeyXLZKRUWEKNKABO-UHFFFAOYSA-N
XLogP2.09
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]amino]propan-2-ol?
The IUPAC name of 1-amino-3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]amino]propan-2-ol (CID 10149940) is 1-amino-3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]amino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]amino]propan-2-ol?
The canonical SMILES for 1-amino-3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]amino]propan-2-ol is CN(C)c1ccc(-c2cc3ncccc3c(NCC(O)CN)n2)cc1.
What is the InChIKey of 1-amino-3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]amino]propan-2-ol?
The InChIKey is XLZKRUWEKNKABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-24(2)14-7-5-13(6-8-14)17-10-18-16(4-3-9-21-18)19(23-17)22-12-15(25)11-20/h3-10,15,25H,11-12,20H2,1-2H3,(H,22,23).
What are the key properties of 1-amino-3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]amino]propan-2-ol?
1-amino-3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]amino]propan-2-ol has a molecular weight of 337.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]amino]propan-2-ol is sourced from PubChem (CID 10149940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).