3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide

C18H27N3O2 — CID 113120220

IUPAC3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCCC1)Cc1ccccn1
InChIInChI=1S/C18H27N3O2/c1-15(22)21(14-17-10-6-7-12-19-17)13-11-18(23)20-16-8-4-2-3-5-9-16/h6-7,10,12,16H,2-5,8-9,11,13-14H2,1H3,(H,20,23)
InChIKeyFLCFEPLYFJUSKV-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.66
Rot. Bonds6

About 3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide

3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide (PubChem CID 113120220) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
PubChem CID113120220
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCCC1)Cc1ccccn1
InChIInChI=1S/C18H27N3O2/c1-15(22)21(14-17-10-6-7-12-19-17)13-11-18(23)20-16-8-4-2-3-5-9-16/h6-7,10,12,16H,2-5,8-9,11,13-14H2,1H3,(H,20,23)
InChIKeyFLCFEPLYFJUSKV-UHFFFAOYSA-N
XLogP2.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113163426
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120288
3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223
N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120287
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113055158
3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113120324
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide?
The IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide (CID 113120220) is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide.
What is the SMILES notation for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide?
The canonical SMILES for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide is CC(=O)N(CCC(=O)NC1CCCCCC1)Cc1ccccn1.
What is the InChIKey of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide?
The InChIKey is FLCFEPLYFJUSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15(22)21(14-17-10-6-7-12-19-17)13-11-18(23)20-16-8-4-2-3-5-9-16/h6-7,10,12,16H,2-5,8-9,11,13-14H2,1H3,(H,20,23).
What are the key properties of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide?
3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide has a molecular weight of 317.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide is sourced from PubChem (CID 113120220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).