3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide

C16H18ClN3O — CID 30296888

IUPAC3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide
SMILESCN(C)c1ccc(NC(=O)CCc2ccccc2Cl)cn1
InChIInChI=1S/C16H18ClN3O/c1-20(2)15-9-8-13(11-18-15)19-16(21)10-7-12-5-3-4-6-14(12)17/h3-6,8-9,11H,7,10H2,1-2H3,(H,19,21)
InChIKeyQAMHJWLUFCIZTH-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.37
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide

3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide (PubChem CID 30296888) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide
PubChem CID30296888
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide
SMILESCN(C)c1ccc(NC(=O)CCc2ccccc2Cl)cn1
InChIInChI=1S/C16H18ClN3O/c1-20(2)15-9-8-13(11-18-15)19-16(21)10-7-12-5-3-4-6-14(12)17/h3-6,8-9,11H,7,10H2,1-2H3,(H,19,21)
InChIKeyQAMHJWLUFCIZTH-UHFFFAOYSA-N
XLogP3.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide
CID 30295210
4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide
CID 63308097
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60842943
4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
CID 17230319
2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 110633818
3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide
CID 17179035
N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide
CID 17179033
3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide
CID 17179095
N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570381
2-(4-acetamidophenyl)-N-[6-(dimethylamino)-3-pyridinyl]acetamide
CID 30295273
N-(6-amino-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 62901141
3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622808

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide (CID 30296888) is 3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide is CN(C)c1ccc(NC(=O)CCc2ccccc2Cl)cn1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide?
The InChIKey is QAMHJWLUFCIZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20(2)15-9-8-13(11-18-15)19-16(21)10-7-12-5-3-4-6-14(12)17/h3-6,8-9,11H,7,10H2,1-2H3,(H,19,21).
What are the key properties of 3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide?
3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide has a molecular weight of 303.79 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide is sourced from PubChem (CID 30296888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).