2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide

C17H25N3O2 — CID 113163426

IUPAC2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCCCC1)Cc1ccccn1
InChIInChI=1S/C17H25N3O2/c1-14(21)20(12-16-10-6-7-11-18-16)13-17(22)19-15-8-4-2-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12-13H2,1H3,(H,19,22)
InChIKeyCQYKZIRPLYKKQP-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.27
Rot. Bonds5

About 2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide

2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide (PubChem CID 113163426) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide
PubChem CID113163426
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCCCC1)Cc1ccccn1
InChIInChI=1S/C17H25N3O2/c1-14(21)20(12-16-10-6-7-11-18-16)13-17(22)19-15-8-4-2-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12-13H2,1H3,(H,19,22)
InChIKeyCQYKZIRPLYKKQP-UHFFFAOYSA-N
XLogP2.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
CID 113120220
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide
CID 113162520
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide
CID 113162917
2-[acetyl(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113161038
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113163380
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113055158
2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113163489
N-[(1R,3R)-3-aminocyclopentyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide
CID 56868905
N-cyclopentyl-2-[2-methylpropyl(pyridin-2-ylmethyl)amino]propanamide
CID 50963305
2-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 113163524

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide?
The IUPAC name of 2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide (CID 113163426) is 2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide is CC(=O)N(CC(=O)NC1CCCCCC1)Cc1ccccn1.
What is the InChIKey of 2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide?
The InChIKey is CQYKZIRPLYKKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14(21)20(12-16-10-6-7-11-18-16)13-17(22)19-15-8-4-2-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12-13H2,1H3,(H,19,22).
What are the key properties of 2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide?
2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide has a molecular weight of 303.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide is sourced from PubChem (CID 113163426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).