N-ethyl-6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine-3-carboxamide

C18H27N3O2 — CID 95218450

IUPACN-ethyl-6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine-3-carboxamide
SMILESC=CCC[C@@H](CN1CCCC1)Oc1ccc(C(=O)NCC)cn1
InChIInChI=1S/C18H27N3O2/c1-3-5-8-16(14-21-11-6-7-12-21)23-17-10-9-15(13-20-17)18(22)19-4-2/h3,9-10,13,16H,1,4-8,11-12,14H2,2H3,(H,19,22)/t16-/m0/s1
InChIKeyLQLUJXZZVDKAHB-INIZCTEOSA-N
MW317.43 g/mol
LogP2.64
Rot. Bonds9

About N-ethyl-6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine-3-carboxamide

N-ethyl-6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine-3-carboxamide (PubChem CID 95218450) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-ethyl-6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine-3-carboxamide
PubChem CID95218450
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-ethyl-6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine-3-carboxamide
SMILESC=CCC[C@@H](CN1CCCC1)Oc1ccc(C(=O)NCC)cn1
InChIInChI=1S/C18H27N3O2/c1-3-5-8-16(14-21-11-6-7-12-21)23-17-10-9-15(13-20-17)18(22)19-4-2/h3,9-10,13,16H,1,4-8,11-12,14H2,2H3,(H,19,22)/t16-/m0/s1
InChIKeyLQLUJXZZVDKAHB-INIZCTEOSA-N
XLogP2.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine-3-carboxamide (CID 95218450) is N-ethyl-6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine-3-carboxamide is C=CCC[C@@H](CN1CCCC1)Oc1ccc(C(=O)NCC)cn1.
What is the InChIKey of N-ethyl-6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine-3-carboxamide?
The InChIKey is LQLUJXZZVDKAHB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-5-8-16(14-21-11-6-7-12-21)23-17-10-9-15(13-20-17)18(22)19-4-2/h3,9-10,13,16H,1,4-8,11-12,14H2,2H3,(H,19,22)/t16-/m0/s1.
What are the key properties of N-ethyl-6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine-3-carboxamide?
N-ethyl-6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 95218450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).