3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide

C16H25N3O — CID 109023192

IUPAC3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCNC1CCCCCC1)NCc1ccccn1
InChIInChI=1S/C16H25N3O/c20-16(19-13-15-9-5-6-11-17-15)10-12-18-14-7-3-1-2-4-8-14/h5-6,9,11,14,18H,1-4,7-8,10,12-13H2,(H,19,20)
InChIKeyIKQXCIUGPHDCLD-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.40
Rot. Bonds6

About 3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide

3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 109023192) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID109023192
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCNC1CCCCCC1)NCc1ccccn1
InChIInChI=1S/C16H25N3O/c20-16(19-13-15-9-5-6-11-17-15)10-12-18-14-7-3-1-2-4-8-14/h5-6,9,11,14,18H,1-4,7-8,10,12-13H2,(H,19,20)
InChIKeyIKQXCIUGPHDCLD-UHFFFAOYSA-N
XLogP2.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81485895
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
3-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)propanamide
CID 106896105
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide
CID 109021356
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
3-(cyclopropylamino)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62308912
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide (CID 109023192) is 3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide is O=C(CCNC1CCCCCC1)NCc1ccccn1.
What is the InChIKey of 3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is IKQXCIUGPHDCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-16(19-13-15-9-5-6-11-17-15)10-12-18-14-7-3-1-2-4-8-14/h5-6,9,11,14,18H,1-4,7-8,10,12-13H2,(H,19,20).
What are the key properties of 3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide?
3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 109023192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).