N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide

C19H24N4O2 — CID 108963751

IUPACN-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
SMILESCN(C)c1ccc(NC(=O)C(C)(C)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C19H24N4O2/c1-19(2,17(24)21-13-14-9-11-20-12-10-14)18(25)22-15-5-7-16(8-6-15)23(3)4/h5-12H,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyUKEZXBXUZGJGQE-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.43
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide

N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide (PubChem CID 108963751) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
PubChem CID108963751
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
SMILESCN(C)c1ccc(NC(=O)C(C)(C)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C19H24N4O2/c1-19(2,17(24)21-13-14-9-11-20-12-10-14)18(25)22-15-5-7-16(8-6-15)23(3)4/h5-12H,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyUKEZXBXUZGJGQE-UHFFFAOYSA-N
XLogP2.43
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.43
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': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963689
2,2-dimethyl-N-(pyridin-4-ylmethyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108963741
2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963759
2,2-dimethyl-N-(4-propan-2-yloxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963735
2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 108999838
2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963754
N-(3-bromophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963762
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964
N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963792
N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963768
N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965752
N-[4-(dimethylamino)phenyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969421

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide (CID 108963751) is N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide is CN(C)c1ccc(NC(=O)C(C)(C)C(=O)NCc2ccncc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide?
The InChIKey is UKEZXBXUZGJGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(2,17(24)21-13-14-9-11-20-12-10-14)18(25)22-15-5-7-16(8-6-15)23(3)4/h5-12H,13H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide?
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide has a molecular weight of 340.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide is sourced from PubChem (CID 108963751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).