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

C19H22N6O — CID 53069742

IUPACN-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESO=C(NCCCN1CCCC1)c1cccc(-n2nnc3cccnc32)c1
InChIInChI=1S/C19H22N6O/c26-19(21-10-5-13-24-11-1-2-12-24)15-6-3-7-16(14-15)25-18-17(22-23-25)8-4-9-20-18/h3-4,6-9,14H,1-2,5,10-13H2,(H,21,26)
InChIKeySCOVXTVZKGKJIT-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.03
Rot. Bonds6

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

N-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53069742) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53069742
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESO=C(NCCCN1CCCC1)c1cccc(-n2nnc3cccnc32)c1
InChIInChI=1S/C19H22N6O/c26-19(21-10-5-13-24-11-1-2-12-24)15-6-3-7-16(14-15)25-18-17(22-23-25)8-4-9-20-18/h3-4,6-9,14H,1-2,5,10-13H2,(H,21,26)
InChIKeySCOVXTVZKGKJIT-UHFFFAOYSA-N
XLogP2.03
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53069744
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067547
3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46277271
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53069827
3-[[3-(2,3-dihydro-1H-inden-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 11663039
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate
CID 11702224
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245
3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 143176255
4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 20887292
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 33134269
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53069742) is N-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide is O=C(NCCCN1CCCC1)c1cccc(-n2nnc3cccnc32)c1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is SCOVXTVZKGKJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c26-19(21-10-5-13-24-11-1-2-12-24)15-6-3-7-16(14-15)25-18-17(22-23-25)8-4-9-20-18/h3-4,6-9,14H,1-2,5,10-13H2,(H,21,26).
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
N-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 350.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53069742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).