4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide

C23H23N5O2 — CID 67388113

IUPAC4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C23H23N5O2/c1-28(2)12-11-25-22(29)16-9-7-15(8-10-16)17-13-18(21(24)26-14-17)23-27-19-5-3-4-6-20(19)30-23/h3-10,13-14H,11-12H2,1-2H3,(H2,24,26)(H,25,29)
InChIKeyGJCTVCRCSCHRSN-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.43
Rot. Bonds6

About 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide

4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 67388113) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID67388113
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C23H23N5O2/c1-28(2)12-11-25-22(29)16-9-7-15(8-10-16)17-13-18(21(24)26-14-17)23-27-19-5-3-4-6-20(19)30-23/h3-10,13-14H,11-12H2,1-2H3,(H2,24,26)(H,25,29)
InChIKeyGJCTVCRCSCHRSN-UHFFFAOYSA-N
XLogP3.43
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide (CID 67388113) is 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4o3)c2)cc1.
What is the InChIKey of 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is GJCTVCRCSCHRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-28(2)12-11-25-22(29)16-9-7-15(8-10-16)17-13-18(21(24)26-14-17)23-27-19-5-3-4-6-20(19)30-23/h3-10,13-14H,11-12H2,1-2H3,(H2,24,26)(H,25,29).
What are the key properties of 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 67388113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).