4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide

C20H24N8O2 — CID 56593682

IUPAC4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESNc1nc(Nc2ccc(C(=O)NCCN3CCOCC3)cc2)nn1-c1ccccn1
InChIInChI=1S/C20H24N8O2/c21-19-25-20(26-28(19)17-3-1-2-8-22-17)24-16-6-4-15(5-7-16)18(29)23-9-10-27-11-13-30-14-12-27/h1-8H,9-14H2,(H,23,29)(H3,21,24,25,26)
InChIKeyCNWWATUNBGEOQE-UHFFFAOYSA-N
MW408.47 g/mol
LogP1.05
Rot. Bonds7

About 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide

4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 56593682) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID56593682
Molecular FormulaC20H24N8O2
Molecular Weight408.47 g/mol
Exact Mass408.20
IUPAC Name4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESNc1nc(Nc2ccc(C(=O)NCCN3CCOCC3)cc2)nn1-c1ccccn1
InChIInChI=1S/C20H24N8O2/c21-19-25-20(26-28(19)17-3-1-2-8-22-17)24-16-6-4-15(5-7-16)18(29)23-9-10-27-11-13-30-14-12-27/h1-8H,9-14H2,(H,23,29)(H3,21,24,25,26)
InChIKeyCNWWATUNBGEOQE-UHFFFAOYSA-N
XLogP1.05
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 56593682) is 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide is Nc1nc(Nc2ccc(C(=O)NCCN3CCOCC3)cc2)nn1-c1ccccn1.
What is the InChIKey of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is CNWWATUNBGEOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2/c21-19-25-20(26-28(19)17-3-1-2-8-22-17)24-16-6-4-15(5-7-16)18(29)23-9-10-27-11-13-30-14-12-27/h1-8H,9-14H2,(H,23,29)(H3,21,24,25,26).
What are the key properties of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 408.47 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 56593682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).