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

C20H23N7O2 — CID 97448263

IUPAC3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(C)C(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NCc4ccccn4)cn23)C1
InChIInChI=1S/C20H23N7O2/c1-25(2)20(29)26-10-8-14(12-26)18-24-23-17-7-6-15(13-27(17)18)19(28)22-11-16-5-3-4-9-21-16/h3-7,9,13-14H,8,10-12H2,1-2H3,(H,22,28)/t14-/m1/s1
InChIKeyISILOJVDFVUHNL-CQSZACIVSA-N
MW393.45 g/mol
LogP1.53
Rot. Bonds4

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

3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 97448263) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID97448263
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(C)C(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NCc4ccccn4)cn23)C1
InChIInChI=1S/C20H23N7O2/c1-25(2)20(29)26-10-8-14(12-26)18-24-23-17-7-6-15(13-27(17)18)19(28)22-11-16-5-3-4-9-21-16/h3-7,9,13-14H,8,10-12H2,1-2H3,(H,22,28)/t14-/m1/s1
InChIKeyISILOJVDFVUHNL-CQSZACIVSA-N
XLogP1.53
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-propan-2-ylpyrrolidin-3-yl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134075476
3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068897
3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(2,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 95043018
N-propan-2-yl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 118739118
N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131648928
N-cyclopentyl-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068907
3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448743
3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068840
3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448657
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
3-(1,4-dimethylpiperazin-2-yl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131638547
N-(2-morpholin-4-ylethyl)-3-[(3R)-1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448223

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 97448263) is 3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CN(C)C(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NCc4ccccn4)cn23)C1.
What is the InChIKey of 3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is ISILOJVDFVUHNL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-25(2)20(29)26-10-8-14(12-26)18-24-23-17-7-6-15(13-27(17)18)19(28)22-11-16-5-3-4-9-21-16/h3-7,9,13-14H,8,10-12H2,1-2H3,(H,22,28)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 97448263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).