3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide

C17H17Cl2N3O2 — CID 113120324

IUPAC3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(Cl)cc(Cl)c1)Cc1ccccn1
InChIInChI=1S/C17H17Cl2N3O2/c1-12(23)22(11-15-4-2-3-6-20-15)7-5-17(24)21-16-9-13(18)8-14(19)10-16/h2-4,6,8-10H,5,7,11H2,1H3,(H,21,24)
InChIKeyWBPWKEYNJWZWAZ-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.77
Rot. Bonds6

About 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide

3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide (PubChem CID 113120324) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide
PubChem CID113120324
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(Cl)cc(Cl)c1)Cc1ccccn1
InChIInChI=1S/C17H17Cl2N3O2/c1-12(23)22(11-15-4-2-3-6-20-15)7-5-17(24)21-16-9-13(18)8-14(19)10-16/h2-4,6,8-10H,5,7,11H2,1H3,(H,21,24)
InChIKeyWBPWKEYNJWZWAZ-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

N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120288
N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120287
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113120316
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113120272
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113120301
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
CID 113120220
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113120329
3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120177

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide?
The IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide (CID 113120324) is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1cc(Cl)cc(Cl)c1)Cc1ccccn1.
What is the InChIKey of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide?
The InChIKey is WBPWKEYNJWZWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-12(23)22(11-15-4-2-3-6-20-15)7-5-17(24)21-16-9-13(18)8-14(19)10-16/h2-4,6,8-10H,5,7,11H2,1H3,(H,21,24).
What are the key properties of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide?
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-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-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 113120324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).