N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide

C17H21N3O — CID 46743906

IUPACN-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(-c2cncc(C(=O)NCCN(C)C)c2)cc1
InChIInChI=1S/C17H21N3O/c1-13-4-6-14(7-5-13)15-10-16(12-18-11-15)17(21)19-8-9-20(2)3/h4-7,10-12H,8-9H2,1-3H3,(H,19,21)
InChIKeyFOMYWWQGOIZKTJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.35
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 46743906) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID46743906
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(-c2cncc(C(=O)NCCN(C)C)c2)cc1
InChIInChI=1S/C17H21N3O/c1-13-4-6-14(7-5-13)15-10-16(12-18-11-15)17(21)19-8-9-20(2)3/h4-7,10-12H,8-9H2,1-3H3,(H,19,21)
InChIKeyFOMYWWQGOIZKTJ-UHFFFAOYSA-N
XLogP2.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(dimethylamino)ethyl]-5-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109104032
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109229098
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 136514307
5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229278
5-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109104046
5-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 58833166
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985
3-N-[2-(dimethylamino)ethyl]-5-N-(4-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109104100
5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide
CID 166368586

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide (CID 46743906) is N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(-c2cncc(C(=O)NCCN(C)C)c2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is FOMYWWQGOIZKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-4-6-14(7-5-13)15-10-16(12-18-11-15)17(21)19-8-9-20(2)3/h4-7,10-12H,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 46743906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).