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

C19H26N4O — CID 108999729

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNCc2ccncc2)c(C)c1
InChIInChI=1S/C19H26N4O/c1-4-23(5-2)17-6-7-18(15(3)12-17)22-19(24)14-21-13-16-8-10-20-11-9-16/h6-12,21H,4-5,13-14H2,1-3H3,(H,22,24)
InChIKeySWMRUZXMYZNAOJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.96
Rot. Bonds8

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

N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide (PubChem CID 108999729) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide
PubChem CID108999729
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNCc2ccncc2)c(C)c1
InChIInChI=1S/C19H26N4O/c1-4-23(5-2)17-6-7-18(15(3)12-17)22-19(24)14-21-13-16-8-10-20-11-9-16/h6-12,21H,4-5,13-14H2,1-3H3,(H,22,24)
InChIKeySWMRUZXMYZNAOJ-UHFFFAOYSA-N
XLogP2.96
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
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

N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide
CID 109024075
N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026280
N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109020065
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide
CID 108997613
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527424
N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235764
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide
CID 109005120
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
1-benzyl-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108871335
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide (CID 108999729) is N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide is CCN(CC)c1ccc(NC(=O)CNCc2ccncc2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide?
The InChIKey is SWMRUZXMYZNAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-23(5-2)17-6-7-18(15(3)12-17)22-19(24)14-21-13-16-8-10-20-11-9-16/h6-12,21H,4-5,13-14H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.96, 8 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]-2-(pyridin-4-ylmethylamino)acetamide is sourced from PubChem (CID 108999729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).