N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide

C20H25ClN2O — CID 78807864

IUPACN-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide
SMILESCCCCCN(Cc1ccc(Cl)cc1)C(=O)CCc1cccnc1
InChIInChI=1S/C20H25ClN2O/c1-2-3-4-14-23(16-18-7-10-19(21)11-8-18)20(24)12-9-17-6-5-13-22-15-17/h5-8,10-11,13,15H,2-4,9,12,14,16H2,1H3
InChIKeyBDTGZIBWNGQJMU-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.89
Rot. Bonds9

About N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide

N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide (PubChem CID 78807864) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide
PubChem CID78807864
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC NameN-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide
SMILESCCCCCN(Cc1ccc(Cl)cc1)C(=O)CCc1cccnc1
InChIInChI=1S/C20H25ClN2O/c1-2-3-4-14-23(16-18-7-10-19(21)11-8-18)20(24)12-9-17-6-5-13-22-15-17/h5-8,10-11,13,15H,2-4,9,12,14,16H2,1H3
InChIKeyBDTGZIBWNGQJMU-UHFFFAOYSA-N
XLogP4.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(4-heptylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 2726719
N-(2-hydroxyethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 60682520
N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide
CID 42778869
N,N-dihexyl-3-phenylpropanamide
CID 532921
N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide
CID 39952479
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-dodecyl-N-ethyl-3-phenylpropanamide
CID 91693976
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263
3-butylpyridine;ethyl dodecanoate;hydrobromide
CID 175058643
2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid
CID 103802557
2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133149502
3-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 78800494

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide (CID 78807864) is N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide is CCCCCN(Cc1ccc(Cl)cc1)C(=O)CCc1cccnc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide?
The InChIKey is BDTGZIBWNGQJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-2-3-4-14-23(16-18-7-10-19(21)11-8-18)20(24)12-9-17-6-5-13-22-15-17/h5-8,10-11,13,15H,2-4,9,12,14,16H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide?
N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide has a molecular weight of 344.89 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 78807864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).