4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide

C16H19N3O3 — CID 133270581

IUPAC4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(C(C)Nc2ccnc(C(N)=O)c2)cc1OC
InChIInChI=1S/C16H19N3O3/c1-10(11-4-5-14(21-2)15(8-11)22-3)19-12-6-7-18-13(9-12)16(17)20/h4-10H,1-3H3,(H2,17,20)(H,18,19)
InChIKeyZEWWXASKFSVOQK-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.37
Rot. Bonds6

About 4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide

4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 133270581) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
PubChem CID133270581
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(C(C)Nc2ccnc(C(N)=O)c2)cc1OC
InChIInChI=1S/C16H19N3O3/c1-10(11-4-5-14(21-2)15(8-11)22-3)19-12-6-7-18-13(9-12)16(17)20/h4-10H,1-3H3,(H2,17,20)(H,18,19)
InChIKeyZEWWXASKFSVOQK-UHFFFAOYSA-N
XLogP2.37
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide
CID 124574045
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide
CID 65048588
3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210827
4-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-2-carboxamide
CID 106182130
4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide
CID 54954320
2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]pyridin-4-amine
CID 133374158
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92685210
N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210755
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline
CID 43194273
4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide
CID 106357604

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide (CID 133270581) is 4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide is COc1ccc(C(C)Nc2ccnc(C(N)=O)c2)cc1OC.
What is the InChIKey of 4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is ZEWWXASKFSVOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10(11-4-5-14(21-2)15(8-11)22-3)19-12-6-7-18-13(9-12)16(17)20/h4-10H,1-3H3,(H2,17,20)(H,18,19).
What are the key properties of 4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide?
4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 133270581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).