3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide

C22H30N4O2 — CID 113120329

IUPAC3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(Cc2ccccn2)C(C)=O)c(C)c1
InChIInChI=1S/C22H30N4O2/c1-5-25(6-2)20-10-11-21(17(3)15-20)24-22(28)12-14-26(18(4)27)16-19-9-7-8-13-23-19/h7-11,13,15H,5-6,12,14,16H2,1-4H3,(H,24,28)
InChIKeyYTCSZNBBHCMWHF-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.61
Rot. Bonds9

About 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide

3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide (PubChem CID 113120329) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
PubChem CID113120329
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(Cc2ccccn2)C(C)=O)c(C)c1
InChIInChI=1S/C22H30N4O2/c1-5-25(6-2)20-10-11-21(17(3)15-20)24-22(28)12-14-26(18(4)27)16-19-9-7-8-13-23-19/h7-11,13,15H,5-6,12,14,16H2,1-4H3,(H,24,28)
InChIKeyYTCSZNBBHCMWHF-UHFFFAOYSA-N
XLogP3.61
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113120272
N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120288
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113120324
3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113125142
3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113128858
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120287
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171
3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113116691
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
CID 113131881
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113120316
3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide (CID 113120329) is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The canonical SMILES for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide is CCN(CC)c1ccc(NC(=O)CCN(Cc2ccccn2)C(C)=O)c(C)c1.
What is the InChIKey of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The InChIKey is YTCSZNBBHCMWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-5-25(6-2)20-10-11-21(17(3)15-20)24-22(28)12-14-26(18(4)27)16-19-9-7-8-13-23-19/h7-11,13,15H,5-6,12,14,16H2,1-4H3,(H,24,28).
What are the key properties of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide?
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide has a molecular weight of 382.51 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide is sourced from PubChem (CID 113120329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).