2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide

C20H27N5O2 — CID 134803087

IUPAC2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(CCn2nc3n(c2=O)CCCC3)C1
InChIInChI=1S/C20H27N5O2/c1-15-6-2-3-7-17(15)19(26)21-16-9-11-23(14-16)12-13-25-20(27)24-10-5-4-8-18(24)22-25/h2-3,6-7,16H,4-5,8-14H2,1H3,(H,21,26)
InChIKeyJFAPOQIJLDKFMV-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.19
Rot. Bonds5

About 2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide

2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide (PubChem CID 134803087) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide
PubChem CID134803087
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(CCn2nc3n(c2=O)CCCC3)C1
InChIInChI=1S/C20H27N5O2/c1-15-6-2-3-7-17(15)19(26)21-16-9-11-23(14-16)12-13-25-20(27)24-10-5-4-8-18(24)22-25/h2-3,6-7,16H,4-5,8-14H2,1H3,(H,21,26)
InChIKeyJFAPOQIJLDKFMV-UHFFFAOYSA-N
XLogP1.19
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 134801951
2-methyl-N-[1-[2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetyl]piperidin-4-yl]benzamide
CID 55688968
6-chloro-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 134804063
4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide
CID 134802320
1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea
CID 134801279
3-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide
CID 134801337
2-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 15105360
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 134802162
1-(1-methyl-6-oxopiperidin-3-yl)-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 102557756
4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide
CID 154797764
2-methyl-1-[(2-methylphenyl)methyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine;hydroiodide
CID 111360688

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide (CID 134803087) is 2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(CCn2nc3n(c2=O)CCCC3)C1.
What is the InChIKey of 2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide?
The InChIKey is JFAPOQIJLDKFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-6-2-3-7-17(15)19(26)21-16-9-11-23(14-16)12-13-25-20(27)24-10-5-4-8-18(24)22-25/h2-3,6-7,16H,4-5,8-14H2,1H3,(H,21,26).
What are the key properties of 2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide?
2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 134803087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).