N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide

C17H23N3O3 — CID 39711465

IUPACN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cn1
InChIInChI=1S/C17H23N3O3/c1-12(2)23-16-8-7-13(10-18-16)17(21)19-11-14(20(3)4)15-6-5-9-22-15/h5-10,12,14H,11H2,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyKQMBODZKLFWCOK-AWEZNQCLSA-N
MW317.39 g/mol
LogP2.49
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide

N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 39711465) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID39711465
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cn1
InChIInChI=1S/C17H23N3O3/c1-12(2)23-16-8-7-13(10-18-16)17(21)19-11-14(20(3)4)15-6-5-9-22-15/h5-10,12,14H,11H2,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyKQMBODZKLFWCOK-AWEZNQCLSA-N
XLogP2.49
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 66462156
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 94184782
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide
CID 95151089
4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 46426488
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9152019
3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
CID 19114423
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide
CID 51145107

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide (CID 39711465) is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cn1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is KQMBODZKLFWCOK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(2)23-16-8-7-13(10-18-16)17(21)19-11-14(20(3)4)15-6-5-9-22-15/h5-10,12,14H,11H2,1-4H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide?
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 39711465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).