3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide

C20H24N4O4 — CID 23474062

IUPAC3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
SMILESCOc1cc(C(=O)N[C@H](c2nnc3ccccn23)C(C)C)cc(OC)c1OC
InChIInChI=1S/C20H24N4O4/c1-12(2)17(19-23-22-16-8-6-7-9-24(16)19)21-20(25)13-10-14(26-3)18(28-5)15(11-13)27-4/h6-12,17H,1-5H3,(H,21,25)/t17-/m0/s1
InChIKeyBCCOPHCNWCCPHD-KRWDZBQOSA-N
MW384.44 g/mol
LogP2.88
Rot. Bonds7

About 3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide

3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide (PubChem CID 23474062) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
PubChem CID23474062
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
SMILESCOc1cc(C(=O)N[C@H](c2nnc3ccccn23)C(C)C)cc(OC)c1OC
InChIInChI=1S/C20H24N4O4/c1-12(2)17(19-23-22-16-8-6-7-9-24(16)19)21-20(25)13-10-14(26-3)18(28-5)15(11-13)27-4/h6-12,17H,1-5H3,(H,21,25)/t17-/m0/s1
InChIKeyBCCOPHCNWCCPHD-KRWDZBQOSA-N
XLogP2.88
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide
CID 29130881
2-(2-methoxyethoxy)-N-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 52860674
2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 23474102
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 42536093
4-methoxy-3-nitro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247677
3,4,5-trimethoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 45496104
3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021133
3,4-dimethoxy-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 7693038
2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 7693263
2-methoxy-5-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]phenol
CID 56823178
2-(2,4-dichlorophenoxy)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 23474049
3,5-dimethoxy-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761297

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide (CID 23474062) is 3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide is COc1cc(C(=O)N[C@H](c2nnc3ccccn23)C(C)C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?
The InChIKey is BCCOPHCNWCCPHD-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-12(2)17(19-23-22-16-8-6-7-9-24(16)19)21-20(25)13-10-14(26-3)18(28-5)15(11-13)27-4/h6-12,17H,1-5H3,(H,21,25)/t17-/m0/s1.
What are the key properties of 3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?
3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide is sourced from PubChem (CID 23474062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).