3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide

C17H17Cl2N3O2 — CID 113120713

IUPAC3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccncc1
InChIInChI=1S/C17H17Cl2N3O2/c1-12(23)22(11-13-5-8-20-9-6-13)10-7-16(24)21-17-14(18)3-2-4-15(17)19/h2-6,8-9H,7,10-11H2,1H3,(H,21,24)
InChIKeyOJWICHAEWJKRPC-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.77
Rot. Bonds6

About 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide

3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 113120713) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide
PubChem CID113120713
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccncc1
InChIInChI=1S/C17H17Cl2N3O2/c1-12(23)22(11-13-5-8-20-9-6-13)10-7-16(24)21-17-14(18)3-2-4-15(17)19/h2-6,8-9H,7,10-11H2,1H3,(H,21,24)
InChIKeyOJWICHAEWJKRPC-UHFFFAOYSA-N
XLogP3.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113120650
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113118703
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120649
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113120639
3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113122328
3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide
CID 113120535
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide
CID 113161924
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113119485
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113116856
3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 24588994
3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113125485
3-[acetyl(pyridin-4-ylmethyl)amino]-N-[3-(dimethylamino)propyl]propanamide
CID 113120552

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide (CID 113120713) is 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccncc1.
What is the InChIKey of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is OJWICHAEWJKRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-12(23)22(11-13-5-8-20-9-6-13)10-7-16(24)21-17-14(18)3-2-4-15(17)19/h2-6,8-9H,7,10-11H2,1H3,(H,21,24).
What are the key properties of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide?
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 366.25 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 113120713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).