2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide

C21H26N6O — CID 53069911

IUPAC2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCc1c(C(=O)NCCC(C)N2CCCC2)cccc1-n1nnc2cccnc21
InChIInChI=1S/C21H26N6O/c1-15(26-13-3-4-14-26)10-12-23-21(28)17-7-5-9-19(16(17)2)27-20-18(24-25-27)8-6-11-22-20/h5-9,11,15H,3-4,10,12-14H2,1-2H3,(H,23,28)
InChIKeyKSRRXLKIVBUAIP-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.73
Rot. Bonds6

About 2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide

2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53069911) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53069911
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCc1c(C(=O)NCCC(C)N2CCCC2)cccc1-n1nnc2cccnc21
InChIInChI=1S/C21H26N6O/c1-15(26-13-3-4-14-26)10-12-23-21(28)17-7-5-9-19(16(17)2)27-20-18(24-25-27)8-6-11-22-20/h5-9,11,15H,3-4,10,12-14H2,1-2H3,(H,23,28)
InChIKeyKSRRXLKIVBUAIP-UHFFFAOYSA-N
XLogP2.73
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53069899
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 46324037
4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide
CID 92864305
5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide
CID 95179929
N-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53069742
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126
3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 79035923
2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide
CID 92728412
1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide
CID 53054891
3-imidazo[4,5-b]pyridin-3-yl-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 46277358
2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 78918066
3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide
CID 95284101

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of 2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53069911) is 2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for 2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide is Cc1c(C(=O)NCCC(C)N2CCCC2)cccc1-n1nnc2cccnc21.
What is the InChIKey of 2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is KSRRXLKIVBUAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-15(26-13-3-4-14-26)10-12-23-21(28)17-7-5-9-19(16(17)2)27-20-18(24-25-27)8-6-11-22-20/h5-9,11,15H,3-4,10,12-14H2,1-2H3,(H,23,28).
What are the key properties of 2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 378.48 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53069911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).