6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

C17H21N3O2 — CID 84570463

IUPAC6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(N(C)C)nc2)cc1
InChIInChI=1S/C17H21N3O2/c1-12(13-5-8-15(22-4)9-6-13)19-17(21)14-7-10-16(18-11-14)20(2)3/h5-12H,1-4H3,(H,19,21)
InChIKeyPNIILOXBNROFCF-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.65
Rot. Bonds5

About 6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 84570463) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID84570463
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(N(C)C)nc2)cc1
InChIInChI=1S/C17H21N3O2/c1-12(13-5-8-15(22-4)9-6-13)19-17(21)14-7-10-16(18-11-14)20(2)3/h5-12H,1-4H3,(H,19,21)
InChIKeyPNIILOXBNROFCF-UHFFFAOYSA-N
XLogP2.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N-[1-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 84570773
6-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79031520
N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 53279777
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558127
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 96582836

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 84570463) is 6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccc(C(C)NC(=O)c2ccc(N(C)C)nc2)cc1.
What is the InChIKey of 6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is PNIILOXBNROFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(13-5-8-15(22-4)9-6-13)19-17(21)14-7-10-16(18-11-14)20(2)3/h5-12H,1-4H3,(H,19,21).
What are the key properties of 6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 84570463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).