5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride

C16H20ClN3O — CID 163341505

IUPAC5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
SMILESCN(C)C(=O)c1cncc(-c2ccc(CCN)cc2)c1.Cl
InChIInChI=1S/C16H19N3O.ClH/c1-19(2)16(20)15-9-14(10-18-11-15)13-5-3-12(4-6-13)7-8-17;/h3-6,9-11H,7-8,17H2,1-2H3;1H
InChIKeySWVLKWKOXVWISR-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.37
Rot. Bonds4

About 5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride

5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride (PubChem CID 163341505) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
PubChem CID163341505
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
SMILESCN(C)C(=O)c1cncc(-c2ccc(CCN)cc2)c1.Cl
InChIInChI=1S/C16H19N3O.ClH/c1-19(2)16(20)15-9-14(10-18-11-15)13-5-3-12(4-6-13)7-8-17;/h3-6,9-11H,7-8,17H2,1-2H3;1H
InChIKeySWVLKWKOXVWISR-UHFFFAOYSA-N
XLogP2.37
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of 5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride (CID 163341505) is 5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride is CN(C)C(=O)c1cncc(-c2ccc(CCN)cc2)c1.Cl.
What is the InChIKey of 5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride?
The InChIKey is SWVLKWKOXVWISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.ClH/c1-19(2)16(20)15-9-14(10-18-11-15)13-5-3-12(4-6-13)7-8-17;/h3-6,9-11H,7-8,17H2,1-2H3;1H.
What are the key properties of 5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride?
5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 163341505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).