N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide

C17H21N3O — CID 62830096

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(CCN)cc2)c(C)n1
InChIInChI=1S/C17H21N3O/c1-12-3-8-16(13(2)20-12)17(21)19-11-15-6-4-14(5-7-15)9-10-18/h3-8H,9-11,18H2,1-2H3,(H,19,21)
InChIKeyCDZJGCJGJFXXHK-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.13
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide

N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 62830096) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID62830096
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(CCN)cc2)c(C)n1
InChIInChI=1S/C17H21N3O/c1-12-3-8-16(13(2)20-12)17(21)19-11-15-6-4-14(5-7-15)9-10-18/h3-8H,9-11,18H2,1-2H3,(H,19,21)
InChIKeyCDZJGCJGJFXXHK-UHFFFAOYSA-N
XLogP2.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830418
N-[(4-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283449
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115736977
N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
CID 62502652
N-[[4-(2-aminoethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810942
N-[[3-(bromomethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 114313153
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47345240
N-(2-aminopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 63731041
N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283577
N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide
CID 62500805
2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843703

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (CID 62830096) is N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NCc2ccc(CCN)cc2)c(C)n1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is CDZJGCJGJFXXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-3-8-16(13(2)20-12)17(21)19-11-15-6-4-14(5-7-15)9-10-18/h3-8H,9-11,18H2,1-2H3,(H,19,21).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 62830096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).