2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide

C17H21N3O — CID 80555002

IUPAC2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide
SMILESCc1cccnc1CNC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C17H21N3O/c1-12-5-4-10-19-15(12)11-20-16(21)17(2,3)13-6-8-14(18)9-7-13/h4-10H,11,18H2,1-3H3,(H,20,21)
InChIKeyYLNUEOTUZWCDDQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.57
Rot. Bonds4

About 2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide

2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide (PubChem CID 80555002) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide
PubChem CID80555002
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide
SMILESCc1cccnc1CNC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C17H21N3O/c1-12-5-4-10-19-15(12)11-20-16(21)17(2,3)13-6-8-14(18)9-7-13/h4-10H,11,18H2,1-3H3,(H,20,21)
InChIKeyYLNUEOTUZWCDDQ-UHFFFAOYSA-N
XLogP2.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 78942030
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate
CID 63373657
2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 80556800
2-(4-aminophenyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 80556831
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853
2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114942256
methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate
CID 106487890
2-(4-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255526
1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869384
N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958341

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide (CID 80555002) is 2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide is Cc1cccnc1CNC(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide?
The InChIKey is YLNUEOTUZWCDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-5-4-10-19-15(12)11-20-16(21)17(2,3)13-6-8-14(18)9-7-13/h4-10H,11,18H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide?
2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide has a molecular weight of 283.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 80555002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).