N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide

C17H27N3O — CID 81485895

IUPACN-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)NCCNC1CCCCCC1
InChIInChI=1S/C17H27N3O/c21-17(11-10-16-9-5-6-12-18-16)20-14-13-19-15-7-3-1-2-4-8-15/h5-6,9,12,15,19H,1-4,7-8,10-11,13-14H2,(H,20,21)
InChIKeyUCZCCTUNTDXVAJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.44
Rot. Bonds7

About N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide

N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide (PubChem CID 81485895) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide
PubChem CID81485895
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)NCCNC1CCCCCC1
InChIInChI=1S/C17H27N3O/c21-17(11-10-16-9-5-6-12-18-16)20-14-13-19-15-7-3-1-2-4-8-15/h5-6,9,12,15,19H,1-4,7-8,10-11,13-14H2,(H,20,21)
InChIKeyUCZCCTUNTDXVAJ-UHFFFAOYSA-N
XLogP2.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023192
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 113269953
2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 114289788
2-[(1-methylpiperidin-4-yl)amino]-N-(2-pyridin-2-ylethyl)acetamide
CID 143176576
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 60600060
N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119620109
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446
1-cyclohexyl-4-pyridin-2-ylbutan-2-one
CID 105089148

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide (CID 81485895) is N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide is O=C(CCc1ccccn1)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide?
The InChIKey is UCZCCTUNTDXVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c21-17(11-10-16-9-5-6-12-18-16)20-14-13-19-15-7-3-1-2-4-8-15/h5-6,9,12,15,19H,1-4,7-8,10-11,13-14H2,(H,20,21).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide?
N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 81485895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).