N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide

C17H21N3O — CID 80505709

IUPACN-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCC(N)c2ccccc2)c(C)n1
InChIInChI=1S/C17H21N3O/c1-12-8-9-15(13(2)20-12)17(21)19-11-10-16(18)14-6-4-3-5-7-14/h3-9,16H,10-11,18H2,1-2H3,(H,19,21)
InChIKeyYIWRYFZCUQUUEV-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.52
Rot. Bonds5

About N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide

N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 80505709) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID80505709
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCC(N)c2ccccc2)c(C)n1
InChIInChI=1S/C17H21N3O/c1-12-8-9-15(13(2)20-12)17(21)19-11-10-16(18)14-6-4-3-5-7-14/h3-9,16H,10-11,18H2,1-2H3,(H,19,21)
InChIKeyYIWRYFZCUQUUEV-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671658
N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 80506645
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-(2-aminopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 63731041
N-(3-amino-3-phenylpropyl)-2-ethylbutanamide
CID 80506593
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 62828688
N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide
CID 80507130
2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid
CID 65217615
N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide
CID 80507148
N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
CID 80506852
N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 119508405
N-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide (CID 80505709) is N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCC(N)c2ccccc2)c(C)n1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is YIWRYFZCUQUUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-8-9-15(13(2)20-12)17(21)19-11-10-16(18)14-6-4-3-5-7-14/h3-9,16H,10-11,18H2,1-2H3,(H,19,21).
What are the key properties of N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide?
N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 80505709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).