N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide

C14H21N3O3 — CID 122563643

IUPACN-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide
SMILESCCN1C[C@H](NC(=O)c2cc(OC)ccn2)[C@@H](OC)C1
InChIInChI=1S/C14H21N3O3/c1-4-17-8-12(13(9-17)20-3)16-14(18)11-7-10(19-2)5-6-15-11/h5-7,12-13H,4,8-9H2,1-3H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyGPVDDXMEYPGMEK-STQMWFEESA-N
MW279.34 g/mol
LogP0.54
Rot. Bonds5

About N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide

N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide (PubChem CID 122563643) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide
PubChem CID122563643
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide
SMILESCCN1C[C@H](NC(=O)c2cc(OC)ccn2)[C@@H](OC)C1
InChIInChI=1S/C14H21N3O3/c1-4-17-8-12(13(9-17)20-3)16-14(18)11-7-10(19-2)5-6-15-11/h5-7,12-13H,4,8-9H2,1-3H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyGPVDDXMEYPGMEK-STQMWFEESA-N
XLogP0.54
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide (CID 122563643) is N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide is CCN1C[C@H](NC(=O)c2cc(OC)ccn2)[C@@H](OC)C1.
What is the InChIKey of N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide?
The InChIKey is GPVDDXMEYPGMEK-STQMWFEESA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-17-8-12(13(9-17)20-3)16-14(18)11-7-10(19-2)5-6-15-11/h5-7,12-13H,4,8-9H2,1-3H3,(H,16,18)/t12-,13-/m0/s1.
What are the key properties of N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide?
N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 122563643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).