N,5-dimethylpyridine-2-carboxamide;ethane;methyl pyridine-2-carboxylate

C17H23N3O3 — CID 143560457

IUPACN,5-dimethylpyridine-2-carboxamide;ethane;methyl pyridine-2-carboxylate
SMILESCC.CNC(=O)c1ccc(C)cn1.COC(=O)c1ccccn1
InChIInChI=1S/C8H10N2O.C7H7NO2.C2H6/c1-6-3-4-7(10-5-6)8(11)9-2;1-10-7(9)6-4-2-3-5-8-6;1-2/h3-5H,1-2H3,(H,9,11);2-5H,1H3;1-2H3
InChIKeyOPCOWBCTKYDYJQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.64
Rot. Bonds2

About N,5-dimethylpyridine-2-carboxamide;ethane;methyl pyridine-2-carboxylate

N,5-dimethylpyridine-2-carboxamide;ethane;methyl pyridine-2-carboxylate (PubChem CID 143560457) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N,5-dimethylpyridine-2-carboxamide;ethane;methyl pyridine-2-carboxylate.

Molecular Properties

Compound NameN,5-dimethylpyridine-2-carboxamide;ethane;methyl pyridine-2-carboxylate
PubChem CID143560457
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN,5-dimethylpyridine-2-carboxamide;ethane;methyl pyridine-2-carboxylate
SMILESCC.CNC(=O)c1ccc(C)cn1.COC(=O)c1ccccn1
InChIInChI=1S/C8H10N2O.C7H7NO2.C2H6/c1-6-3-4-7(10-5-6)8(11)9-2;1-10-7(9)6-4-2-3-5-8-6;1-2/h3-5H,1-2H3,(H,9,11);2-5H,1H3;1-2H3
InChIKeyOPCOWBCTKYDYJQ-UHFFFAOYSA-N
XLogP2.64
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-pyridinecarboxylate
CID 17307
2-Carbomethoxypyridine
CID 75569
Kdm5-C70
CID 90094283
methyl 4'-(phenethylcarbamoyl)-[2,2'-bipyridine]-4-carboxylate (N4)
CID 121595845
3-(Pyridine-2-carbonyloxy)propyl 3,5,6-trimethylpyrazine-2-carboxylate
CID 168296372
[2-(3-Acetylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088687
[2-(4-Acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2357468
(2-Benzamido-2-oxoethyl) pyridine-2-carboxylate
CID 7477399
Methyl 2-[[[2-[[2-(dimethylamino)ethyl]ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinecarboxylate
CID 90094442
Ethyl 3-[(3-{[2-(ethoxycarbonyl)-3-pyridinyl]amino}-3-oxopropanoyl)amino]-2-pyridinecarboxylate
CID 584972
Butyl pyridine-2-carboxylate
CID 79285
Decyl pyridine-2-carboxylate
CID 219539

Frequently Asked Questions

What is the IUPAC name of N,5-dimethylpyridine-2-carboxamide;ethane;methyl pyridine-2-carboxylate?
The IUPAC name of N,5-dimethylpyridine-2-carboxamide;ethane;methyl pyridine-2-carboxylate (CID 143560457) is N,5-dimethylpyridine-2-carboxamide;ethane;methyl pyridine-2-carboxylate.
What is the SMILES notation for N,5-dimethylpyridine-2-carboxamide;ethane;methyl pyridine-2-carboxylate?
The canonical SMILES for N,5-dimethylpyridine-2-carboxamide;ethane;methyl pyridine-2-carboxylate is CC.CNC(=O)c1ccc(C)cn1.COC(=O)c1ccccn1.
What is the InChIKey of N,5-dimethylpyridine-2-carboxamide;ethane;methyl pyridine-2-carboxylate?
The InChIKey is OPCOWBCTKYDYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C7H7NO2.C2H6/c1-6-3-4-7(10-5-6)8(11)9-2;1-10-7(9)6-4-2-3-5-8-6;1-2/h3-5H,1-2H3,(H,9,11);2-5H,1H3;1-2H3.
What are the key properties of N,5-dimethylpyridine-2-carboxamide;ethane;methyl pyridine-2-carboxylate?
N,5-dimethylpyridine-2-carboxamide;ethane;methyl pyridine-2-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethylpyridine-2-carboxamide;ethane;methyl pyridine-2-carboxylate is sourced from PubChem (CID 143560457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).