2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide

C20H24N4O3 — CID 23474102

IUPAC2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
SMILESCOc1ccc(CC(=O)N[C@H](c2nnc3ccccn23)C(C)C)c(OC)c1
InChIInChI=1S/C20H24N4O3/c1-13(2)19(20-23-22-17-7-5-6-10-24(17)20)21-18(25)11-14-8-9-15(26-3)12-16(14)27-4/h5-10,12-13,19H,11H2,1-4H3,(H,21,25)/t19-/m0/s1
InChIKeyVORGHAQQNNJSJJ-IBGZPJMESA-N
MW368.44 g/mol
LogP2.80
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide

2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide (PubChem CID 23474102) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
PubChem CID23474102
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
SMILESCOc1ccc(CC(=O)N[C@H](c2nnc3ccccn23)C(C)C)c(OC)c1
InChIInChI=1S/C20H24N4O3/c1-13(2)19(20-23-22-17-7-5-6-10-24(17)20)21-18(25)11-14-8-9-15(26-3)12-16(14)27-4/h5-10,12-13,19H,11H2,1-4H3,(H,21,25)/t19-/m0/s1
InChIKeyVORGHAQQNNJSJJ-IBGZPJMESA-N
XLogP2.80
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697735
3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 23474062
2-methoxy-5-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]phenol
CID 56823178
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
1-[(2-bromo-5-methoxyphenyl)methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47066663
(1S)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 97211230
2-(2-methoxyethoxy)-N-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 52860674
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 75419226
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 42954364
2-(2,5-dimethoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 23474337
2-(2,4-dimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79255130
N-(2,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 9355806

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide (CID 23474102) is 2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide is COc1ccc(CC(=O)N[C@H](c2nnc3ccccn23)C(C)C)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
The InChIKey is VORGHAQQNNJSJJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13(2)19(20-23-22-17-7-5-6-10-24(17)20)21-18(25)11-14-8-9-15(26-3)12-16(14)27-4/h5-10,12-13,19H,11H2,1-4H3,(H,21,25)/t19-/m0/s1.
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide is sourced from PubChem (CID 23474102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).