(2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide

C15H24N6O2 — CID 95979274

IUPAC(2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)CN[C@H]1CCc2nc(C)nn2C1
InChIInChI=1S/C15H24N6O2/c1-10-18-13-6-5-11(9-21(13)19-10)17-8-14(22)20-7-3-4-12(20)15(23)16-2/h11-12,17H,3-9H2,1-2H3,(H,16,23)/t11-,12-/m0/s1
InChIKeyDINAGVHIPWOVMA-RYUDHWBXSA-N
MW320.40 g/mol
LogP-0.77
Rot. Bonds4

About (2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide

(2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide (PubChem CID 95979274) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is (2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide
PubChem CID95979274
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name(2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)CN[C@H]1CCc2nc(C)nn2C1
InChIInChI=1S/C15H24N6O2/c1-10-18-13-6-5-11(9-21(13)19-10)17-8-14(22)20-7-3-4-12(20)15(23)16-2/h11-12,17H,3-9H2,1-2H3,(H,16,23)/t11-,12-/m0/s1
InChIKeyDINAGVHIPWOVMA-RYUDHWBXSA-N
XLogP-0.77
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-[2-(cyclopentylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 60952576
4-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperazin-2-one
CID 95758132
2-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115616214
(2R)-1-[2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperidine-2-carboxamide
CID 95607404
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol
CID 95310254
1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one
CID 56781313
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
CID 95351614
1-(2,3-dihydroindol-1-yl)-3-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
CID 95612111
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119736640
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
CID 95345919

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide (CID 95979274) is (2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1CCCN1C(=O)CN[C@H]1CCc2nc(C)nn2C1.
What is the InChIKey of (2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is DINAGVHIPWOVMA-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-10-18-13-6-5-11(9-21(13)19-10)17-8-14(22)20-7-3-4-12(20)15(23)16-2/h11-12,17H,3-9H2,1-2H3,(H,16,23)/t11-,12-/m0/s1.
What are the key properties of (2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide?
(2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 320.40 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95979274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).