4-[2-amino-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]benzamide

C22H25N5O2 — CID 24821002

IUPAC4-[2-amino-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]benzamide
SMILESCN(C)CCCOc1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cn1
InChIInChI=1S/C22H25N5O2/c1-27(2)10-3-11-29-20-9-8-17(13-25-20)18-12-19(21(23)26-14-18)15-4-6-16(7-5-15)22(24)28/h4-9,12-14H,3,10-11H2,1-2H3,(H2,23,26)(H2,24,28)
InChIKeyLIZWYSWXIBBANW-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.82
Rot. Bonds8

About 4-[2-amino-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]benzamide

4-[2-amino-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]benzamide (PubChem CID 24821002) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-[2-amino-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[2-amino-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]benzamide
PubChem CID24821002
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-[2-amino-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]benzamide
SMILESCN(C)CCCOc1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cn1
InChIInChI=1S/C22H25N5O2/c1-27(2)10-3-11-29-20-9-8-17(13-25-20)18-12-19(21(23)26-14-18)15-4-6-16(7-5-15)22(24)28/h4-9,12-14H,3,10-11H2,1-2H3,(H2,23,26)(H2,24,28)
InChIKeyLIZWYSWXIBBANW-UHFFFAOYSA-N
XLogP2.82
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]benzamide?
The IUPAC name of 4-[2-amino-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]benzamide (CID 24821002) is 4-[2-amino-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[2-amino-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]benzamide?
The canonical SMILES for 4-[2-amino-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]benzamide is CN(C)CCCOc1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cn1.
What is the InChIKey of 4-[2-amino-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]benzamide?
The InChIKey is LIZWYSWXIBBANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-27(2)10-3-11-29-20-9-8-17(13-25-20)18-12-19(21(23)26-14-18)15-4-6-16(7-5-15)22(24)28/h4-9,12-14H,3,10-11H2,1-2H3,(H2,23,26)(H2,24,28).
What are the key properties of 4-[2-amino-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]benzamide?
4-[2-amino-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]benzamide has a molecular weight of 391.48 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 24821002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).