N-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide

C17H21N3O2 — CID 82032030

IUPACN-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide
SMILESCC(C)(Cn1ccccc1=O)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C17H21N3O2/c1-17(2,12-20-10-4-3-5-15(20)21)16(22)19-14-8-6-13(11-18)7-9-14/h3-10H,11-12,18H2,1-2H3,(H,19,22)
InChIKeyCLRRBQNIZVDYTI-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.97
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide

N-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 82032030) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID82032030
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide
SMILESCC(C)(Cn1ccccc1=O)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C17H21N3O2/c1-17(2,12-20-10-4-3-5-15(20)21)16(22)19-14-8-6-13(11-18)7-9-14/h3-10H,11-12,18H2,1-2H3,(H,19,22)
InChIKeyCLRRBQNIZVDYTI-UHFFFAOYSA-N
XLogP1.97
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate
CID 79629550
2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide
CID 110480064
N-(4-aminophenyl)-2,2-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
CID 82031807
2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55881732
1-(2-amino-2-methylpropyl)pyridin-2-one
CID 82144133
1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 39147665
N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024272
1-(2,2-dimethylpropanoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]piperidine-4-carboxamide
CID 55767556
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride
CID 119723761
N-(2-aminophenyl)-2,2-dimethyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 82031875
2-(3,4-dichlorophenyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetamide
CID 55767282
1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one
CID 82896599

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide (CID 82032030) is N-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide is CC(C)(Cn1ccccc1=O)C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is CLRRBQNIZVDYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(2,12-20-10-4-3-5-15(20)21)16(22)19-14-8-6-13(11-18)7-9-14/h3-10H,11-12,18H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide?
N-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 299.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 82032030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).