N-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide

C15H22N3O2+ — CID 7130464

IUPACN-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(N2CCCC2)[nH+]c1
InChIInChI=1S/C15H21N3O2/c19-15(17-11-13-4-3-9-20-13)12-5-6-14(16-10-12)18-7-1-2-8-18/h5-6,10,13H,1-4,7-9,11H2,(H,17,19)/p+1/t13-/m0/s1
InChIKeyRNBBEXMLIYVJBJ-ZDUSSCGKSA-O
MW276.36 g/mol
LogP1.01
Rot. Bonds4

About N-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide (PubChem CID 7130464) has the molecular formula C15H22N3O2+ and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide
PubChem CID7130464
Molecular FormulaC15H22N3O2+
Molecular Weight276.36 g/mol
Exact Mass276.17
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(N2CCCC2)[nH+]c1
InChIInChI=1S/C15H21N3O2/c19-15(17-11-13-4-3-9-20-13)12-5-6-14(16-10-12)18-7-1-2-8-18/h5-6,10,13H,1-4,7-9,11H2,(H,17,19)/p+1/t13-/m0/s1
InChIKeyRNBBEXMLIYVJBJ-ZDUSSCGKSA-O
XLogP1.01
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 7130482
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201
N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide
CID 7221705
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
6-[(4-fluorophenyl)methylamino]-N-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 7382822
6-[(4-fluorophenyl)methylamino]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 7382821
3-nitro-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 15995929
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
CID 42559548

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide (CID 7130464) is N-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide is O=C(NC[C@@H]1CCCO1)c1ccc(N2CCCC2)[nH+]c1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide?
The InChIKey is RNBBEXMLIYVJBJ-ZDUSSCGKSA-O. The full InChI is InChI=1S/C15H21N3O2/c19-15(17-11-13-4-3-9-20-13)12-5-6-14(16-10-12)18-7-1-2-8-18/h5-6,10,13H,1-4,7-9,11H2,(H,17,19)/p+1/t13-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide is sourced from PubChem (CID 7130464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).