2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide

C16H23N5O — CID 138387553

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide
SMILESCN1CCCN(CC(=O)NCc2cccn3nccc23)CC1
InChIInChI=1S/C16H23N5O/c1-19-7-3-8-20(11-10-19)13-16(22)17-12-14-4-2-9-21-15(14)5-6-18-21/h2,4-6,9H,3,7-8,10-13H2,1H3,(H,17,22)
InChIKeyGSZRNLGCOASWBQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.59
Rot. Bonds4

About 2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide

2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide (PubChem CID 138387553) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide
PubChem CID138387553
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide
SMILESCN1CCCN(CC(=O)NCc2cccn3nccc23)CC1
InChIInChI=1S/C16H23N5O/c1-19-7-3-8-20(11-10-19)13-16(22)17-12-14-4-2-9-21-15(14)5-6-18-21/h2,4-6,9H,3,7-8,10-13H2,1H3,(H,17,22)
InChIKeyGSZRNLGCOASWBQ-UHFFFAOYSA-N
XLogP0.59
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 28744880
2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 50969531
N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43509649
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896722
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 118796187
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 118788473
2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide
CID 50949310

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide (CID 138387553) is 2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide is CN1CCCN(CC(=O)NCc2cccn3nccc23)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide?
The InChIKey is GSZRNLGCOASWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-19-7-3-8-20(11-10-19)13-16(22)17-12-14-4-2-9-21-15(14)5-6-18-21/h2,4-6,9H,3,7-8,10-13H2,1H3,(H,17,22).
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide?
2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide has a molecular weight of 301.39 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 138387553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).