3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide

C23H27N5O2 — CID 164629043

IUPAC3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide
SMILESCN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cccc(C(N)=O)c4)cc3n2)CC1
InChIInChI=1S/C23H27N5O2/c1-23(30,17-8-10-28(2)11-9-17)20-7-6-16-14-25-21(13-19(16)27-20)26-18-5-3-4-15(12-18)22(24)29/h3-7,12-14,17,30H,8-11H2,1-2H3,(H2,24,29)(H,25,26)/t23-/m1/s1
InChIKeyMJDMDCAHJXXKSR-HSZRJFAPSA-N
MW405.50 g/mol
LogP3.02
Rot. Bonds5

About 3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide

3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide (PubChem CID 164629043) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide
PubChem CID164629043
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide
SMILESCN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cccc(C(N)=O)c4)cc3n2)CC1
InChIInChI=1S/C23H27N5O2/c1-23(30,17-8-10-28(2)11-9-17)20-7-6-16-14-25-21(13-19(16)27-20)26-18-5-3-4-15(12-18)22(24)29/h3-7,12-14,17,30H,8-11H2,1-2H3,(H2,24,29)(H,25,26)/t23-/m1/s1
InChIKeyMJDMDCAHJXXKSR-HSZRJFAPSA-N
XLogP3.02
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide?
The IUPAC name of 3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide (CID 164629043) is 3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide.
What is the SMILES notation for 3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide?
The canonical SMILES for 3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide is CN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cccc(C(N)=O)c4)cc3n2)CC1.
What is the InChIKey of 3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide?
The InChIKey is MJDMDCAHJXXKSR-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-23(30,17-8-10-28(2)11-9-17)20-7-6-16-14-25-21(13-19(16)27-20)26-18-5-3-4-15(12-18)22(24)29/h3-7,12-14,17,30H,8-11H2,1-2H3,(H2,24,29)(H,25,26)/t23-/m1/s1.
What are the key properties of 3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide?
3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide is sourced from PubChem (CID 164629043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).