N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide

C16H27N3O — CID 109026028

IUPACN-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide
SMILESCCCCCNCCC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C16H27N3O/c1-3-4-5-10-17-13-8-16(20)19(2)14-9-15-6-11-18-12-7-15/h6-7,11-12,17H,3-5,8-10,13-14H2,1-2H3
InChIKeyXYTWRQWADCWINX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.25
Rot. Bonds10

About N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide

N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 109026028) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID109026028
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide
SMILESCCCCCNCCC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C16H27N3O/c1-3-4-5-10-17-13-8-16(20)19(2)14-9-15-6-11-18-12-7-15/h6-7,11-12,17H,3-5,8-10,13-14H2,1-2H3
InChIKeyXYTWRQWADCWINX-UHFFFAOYSA-N
XLogP2.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)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

3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 109001500
3-(2-ethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026051
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113153413
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109014143
6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098678
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
ethyl 4-[[3-[methyl(2-pyridin-4-ylethyl)amino]-3-oxopropyl]amino]benzoate
CID 109026119

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide (CID 109026028) is N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide is CCCCCNCCC(=O)N(C)CCc1ccncc1.
What is the InChIKey of N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is XYTWRQWADCWINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-4-5-10-17-13-8-16(20)19(2)14-9-15-6-11-18-12-7-15/h6-7,11-12,17H,3-5,8-10,13-14H2,1-2H3.
What are the key properties of N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide?
N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 109026028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).