3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C21H24N6O3 — CID 131644011

IUPAC3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3nnc(C4CCN(C(=O)N(C)C)C4)n3c2)c1
InChIInChI=1S/C21H24N6O3/c1-25(2)21(29)26-10-9-14(12-26)19-24-23-18-8-7-15(13-27(18)19)20(28)22-16-5-4-6-17(11-16)30-3/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,22,28)
InChIKeyXYIIHDGVKHQMPV-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.46
Rot. Bonds4

About 3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 131644011) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID131644011
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3nnc(C4CCN(C(=O)N(C)C)C4)n3c2)c1
InChIInChI=1S/C21H24N6O3/c1-25(2)21(29)26-10-9-14(12-26)19-24-23-18-8-7-15(13-27(18)19)20(28)22-16-5-4-6-17(11-16)30-3/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,22,28)
InChIKeyXYIIHDGVKHQMPV-UHFFFAOYSA-N
XLogP2.46
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131661275
N-(cyclopropylmethyl)-3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131657541
3-[(2S)-4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 98776715
N-(3-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134077237
N-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155850658
N-[2-(3-methoxyphenyl)ethyl]-3-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448300
N,N-dimethyl-3-[6-(4-methylpiperazine-1-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155837567
N-(3-methoxyphenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 95188322
(3R)-N-(3-methoxyphenyl)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429379
N-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 50784686
N-(3-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103248
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 131644011) is 3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COc1cccc(NC(=O)c2ccc3nnc(C4CCN(C(=O)N(C)C)C4)n3c2)c1.
What is the InChIKey of 3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is XYIIHDGVKHQMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-25(2)21(29)26-10-9-14(12-26)19-24-23-18-8-7-15(13-27(18)19)20(28)22-16-5-4-6-17(11-16)30-3/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,22,28).
What are the key properties of 3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 131644011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).