N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C21H24N6O2 — CID 166180288

IUPACN-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCCN1CCCC1)c1ccc(CNC(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C21H24N6O2/c28-20(22-9-12-26-10-1-2-11-26)17-5-3-16(4-6-17)13-23-21(29)18-7-8-19-25-24-15-27(19)14-18/h3-8,14-15H,1-2,9-13H2,(H,22,28)(H,23,29)
InChIKeyICACFCBLWMWERH-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.48
Rot. Bonds7

About N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 166180288) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID166180288
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCCN1CCCC1)c1ccc(CNC(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C21H24N6O2/c28-20(22-9-12-26-10-1-2-11-26)17-5-3-16(4-6-17)13-23-21(29)18-7-8-19-25-24-15-27(19)14-18/h3-8,14-15H,1-2,9-13H2,(H,22,28)(H,23,29)
InChIKeyICACFCBLWMWERH-UHFFFAOYSA-N
XLogP1.48
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]imidazo[1,2-a]pyrazine-8-carboxamide
CID 86813208
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182410
N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166215287
N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 164612204
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182442
4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119881976
N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166571517
4-[[(2-amino-2-methylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119881951
N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 164614195
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 166746759
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 166180288) is N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCCN1CCCC1)c1ccc(CNC(=O)c2ccc3nncn3c2)cc1.
What is the InChIKey of N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is ICACFCBLWMWERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-20(22-9-12-26-10-1-2-11-26)17-5-3-16(4-6-17)13-23-21(29)18-7-8-19-25-24-15-27(19)14-18/h3-8,14-15H,1-2,9-13H2,(H,22,28)(H,23,29).
What are the key properties of N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 166180288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).