N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide

C16H21N3O2 — CID 104640844

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NC(C)c2cc(C)oc2C)nc1
InChIInChI=1S/C16H21N3O2/c1-5-17-13-6-7-15(18-9-13)16(20)19-11(3)14-8-10(2)21-12(14)4/h6-9,11,17H,5H2,1-4H3,(H,19,20)
InChIKeyPMNGAFWVRQUESP-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.21
Rot. Bonds5

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide (PubChem CID 104640844) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
PubChem CID104640844
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NC(C)c2cc(C)oc2C)nc1
InChIInChI=1S/C16H21N3O2/c1-5-17-13-6-7-15(18-9-13)16(20)19-11(3)14-8-10(2)21-12(14)4/h6-9,11,17H,5H2,1-4H3,(H,19,20)
InChIKeyPMNGAFWVRQUESP-UHFFFAOYSA-N
XLogP3.21
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(methylamino)pyridine-2-carboxamide
CID 62175226
N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104640557
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63049969
5-(ethylamino)-N-hexan-2-ylpyridine-2-carboxamide
CID 113436154
5-(ethylamino)-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 104641246
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-hydrazinylbenzamide
CID 62248634
2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide
CID 47443000
5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 104640412
5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104639889
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide
CID 94799638
5-(ethylamino)-N-(1-thiophen-2-ylpropan-2-yl)pyridine-2-carboxamide
CID 104641309
5-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
CID 102908038

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide (CID 104640844) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide is CCNc1ccc(C(=O)NC(C)c2cc(C)oc2C)nc1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide?
The InChIKey is PMNGAFWVRQUESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-17-13-6-7-15(18-9-13)16(20)19-11(3)14-8-10(2)21-12(14)4/h6-9,11,17H,5H2,1-4H3,(H,19,20).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104640844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).