4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide

C16H19N3O2 — CID 124574045

IUPAC4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide
SMILESCCOc1cccc([C@@H](C)Nc2ccnc(C(N)=O)c2)c1
InChIInChI=1S/C16H19N3O2/c1-3-21-14-6-4-5-12(9-14)11(2)19-13-7-8-18-15(10-13)16(17)20/h4-11H,3H2,1-2H3,(H2,17,20)(H,18,19)/t11-/m1/s1
InChIKeyGDGFMNPMFYIQLB-LLVKDONJSA-N
MW285.35 g/mol
LogP2.75
Rot. Bonds6

About 4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide

4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide (PubChem CID 124574045) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide
PubChem CID124574045
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide
SMILESCCOc1cccc([C@@H](C)Nc2ccnc(C(N)=O)c2)c1
InChIInChI=1S/C16H19N3O2/c1-3-21-14-6-4-5-12(9-14)11(2)19-13-7-8-18-15(10-13)16(17)20/h4-11H,3H2,1-2H3,(H2,17,20)(H,18,19)/t11-/m1/s1
InChIKeyGDGFMNPMFYIQLB-LLVKDONJSA-N
XLogP2.75
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine
CID 133360412
4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 133270581
N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210831
methyl 4-[1-(3-bromophenyl)ethylamino]pyridine-2-carboxylate
CID 66284629
4-(1-aminobutan-2-ylamino)pyridine-2-carboxamide
CID 63764940
(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide
CID 94217949
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridin-4-amine
CID 133374084
4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide
CID 65048588
2-acetamido-N-[1-(3-ethoxyphenyl)ethyl]acetamide
CID 75418201
methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60873533
5-[1-(3-ethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685225

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide (CID 124574045) is 4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide is CCOc1cccc([C@@H](C)Nc2ccnc(C(N)=O)c2)c1.
What is the InChIKey of 4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide?
The InChIKey is GDGFMNPMFYIQLB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-21-14-6-4-5-12(9-14)11(2)19-13-7-8-18-15(10-13)16(17)20/h4-11H,3H2,1-2H3,(H2,17,20)(H,18,19)/t11-/m1/s1.
What are the key properties of 4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide?
4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 124574045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).