2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

C16H19N3O — CID 110460952

IUPAC2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
SMILESCC(C)(N)C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C16H19N3O/c1-16(2,17)15(20)19-14-5-3-12(4-6-14)11-13-7-9-18-10-8-13/h3-10H,11,17H2,1-2H3,(H,19,20)
InChIKeyDDNWHRJVTYBIHI-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.35
Rot. Bonds4

About 2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide (PubChem CID 110460952) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
PubChem CID110460952
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
SMILESCC(C)(N)C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C16H19N3O/c1-16(2,17)15(20)19-14-5-3-12(4-6-14)11-13-7-9-18-10-8-13/h3-10H,11,17H2,1-2H3,(H,19,20)
InChIKeyDDNWHRJVTYBIHI-UHFFFAOYSA-N
XLogP2.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 2995900
2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide
CID 110480064
2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide
CID 91060090
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 61265996
2-amino-N-(4-butylphenyl)-2-methylpropanamide
CID 61267154
2,2,2-trifluoroethyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate
CID 47092192
4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid
CID 110452968
2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 2992862
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide
CID 154744382

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide (CID 110460952) is 2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide is CC(C)(N)C(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The InChIKey is DDNWHRJVTYBIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(2,17)15(20)19-14-5-3-12(4-6-14)11-13-7-9-18-10-8-13/h3-10H,11,17H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide has a molecular weight of 269.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 110460952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).