N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide

C20H28N4O — CID 109024075

IUPACN-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNCc2ccncc2)c(C)c1
InChIInChI=1S/C20H28N4O/c1-4-24(5-2)18-6-7-19(16(3)14-18)23-20(25)10-13-22-15-17-8-11-21-12-9-17/h6-9,11-12,14,22H,4-5,10,13,15H2,1-3H3,(H,23,25)
InChIKeyPIKDXURHVCFVJX-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.35
Rot. Bonds9

About N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide

N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide (PubChem CID 109024075) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide
PubChem CID109024075
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNCc2ccncc2)c(C)c1
InChIInChI=1S/C20H28N4O/c1-4-24(5-2)18-6-7-19(16(3)14-18)23-20(25)10-13-22-15-17-8-11-21-12-9-17/h6-9,11-12,14,22H,4-5,10,13,15H2,1-3H3,(H,23,25)
InChIKeyPIKDXURHVCFVJX-UHFFFAOYSA-N
XLogP3.35
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999729
N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109020065
N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026280
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019401
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020993
N-[4-(diethylamino)-2-methylphenyl]-3-(prop-2-enylamino)propanamide
CID 109012165
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527424
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235764
N-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide
CID 109020375

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide (CID 109024075) is N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide is CCN(CC)c1ccc(NC(=O)CCNCc2ccncc2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide?
The InChIKey is PIKDXURHVCFVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-24(5-2)18-6-7-19(16(3)14-18)23-20(25)10-13-22-15-17-8-11-21-12-9-17/h6-9,11-12,14,22H,4-5,10,13,15H2,1-3H3,(H,23,25).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide?
N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide has a molecular weight of 340.47 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide is sourced from PubChem (CID 109024075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).