(2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide

C12H14N6O2 — CID 127758750

IUPAC(2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide
SMILESNC(=O)N1CCC[C@H]1C(=O)Nc1ccc2nncn2c1
InChIInChI=1S/C12H14N6O2/c13-12(20)18-5-1-2-9(18)11(19)15-8-3-4-10-16-14-7-17(10)6-8/h3-4,6-7,9H,1-2,5H2,(H2,13,20)(H,15,19)/t9-/m0/s1
InChIKeyATIFKDGUZALTPS-VIFPVBQESA-N
MW274.28 g/mol
LogP0.21
Rot. Bonds2

About (2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide

(2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide (PubChem CID 127758750) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide
PubChem CID127758750
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name(2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide
SMILESNC(=O)N1CCC[C@H]1C(=O)Nc1ccc2nncn2c1
InChIInChI=1S/C12H14N6O2/c13-12(20)18-5-1-2-9(18)11(19)15-8-3-4-10-16-14-7-17(10)6-8/h3-4,6-7,9H,1-2,5H2,(H2,13,20)(H,15,19)/t9-/m0/s1
InChIKeyATIFKDGUZALTPS-VIFPVBQESA-N
XLogP0.21
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide
CID 126786111
(2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide
CID 9171233
(2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)oxolane-3-carboxamide
CID 128992514
2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide
CID 134211831
(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 53302967
N-(4-pyrrolidin-1-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343971
(2S)-2-[[4-[5-[4-[[(2S)-1-carboxypyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 70941882
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide
CID 126785198
methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate
CID 95974055
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide (CID 127758750) is (2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide is NC(=O)N1CCC[C@H]1C(=O)Nc1ccc2nncn2c1.
What is the InChIKey of (2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is ATIFKDGUZALTPS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N6O2/c13-12(20)18-5-1-2-9(18)11(19)15-8-3-4-10-16-14-7-17(10)6-8/h3-4,6-7,9H,1-2,5H2,(H2,13,20)(H,15,19)/t9-/m0/s1.
What are the key properties of (2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 127758750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).