N'-methyl-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide

C14H21N4O2+ — CID 21354804

IUPACN'-methyl-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide
SMILESCNNC(=O)c1ccc[n+](CC(=O)N2CCCC2C)c1
InChIInChI=1S/C14H20N4O2/c1-11-5-3-8-18(11)13(19)10-17-7-4-6-12(9-17)14(20)16-15-2/h4,6-7,9,11,15H,3,5,8,10H2,1-2H3/p+1
InChIKeyASIUMORZZPNZQD-UHFFFAOYSA-O
MW277.35 g/mol
LogP-0.15
Rot. Bonds4

About N'-methyl-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide

N'-methyl-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide (PubChem CID 21354804) has the molecular formula C14H21N4O2+ and a molecular weight of 277.35 g/mol. Its IUPAC name is N'-methyl-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide.

Molecular Properties

Compound NameN'-methyl-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide
PubChem CID21354804
Molecular FormulaC14H21N4O2+
Molecular Weight277.35 g/mol
Exact Mass277.17
IUPAC NameN'-methyl-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide
SMILESCNNC(=O)c1ccc[n+](CC(=O)N2CCCC2C)c1
InChIInChI=1S/C14H20N4O2/c1-11-5-3-8-18(11)13(19)10-17-7-4-6-12(9-17)14(20)16-15-2/h4,6-7,9,11,15H,3,5,8,10H2,1-2H3/p+1
InChIKeyASIUMORZZPNZQD-UHFFFAOYSA-O
XLogP-0.15
TPSA65.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59282800
N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 141274805
(1S,5R)-2-[2-(3-methoxycarbonylpyridin-1-ium-1-yl)acetyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
CID 87277035
4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 168988063
ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene
CID 142101459
N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide
CID 95272247
2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 110728198
[3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 83625399
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 61400367
N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 51983604
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063
1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 71047036

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide?
The IUPAC name of N'-methyl-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide (CID 21354804) is N'-methyl-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide.
What is the SMILES notation for N'-methyl-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide?
The canonical SMILES for N'-methyl-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide is CNNC(=O)c1ccc[n+](CC(=O)N2CCCC2C)c1.
What is the InChIKey of N'-methyl-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide?
The InChIKey is ASIUMORZZPNZQD-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N4O2/c1-11-5-3-8-18(11)13(19)10-17-7-4-6-12(9-17)14(20)16-15-2/h4,6-7,9,11,15H,3,5,8,10H2,1-2H3/p+1.
What are the key properties of N'-methyl-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide?
N'-methyl-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide has a molecular weight of 277.35 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide is sourced from PubChem (CID 21354804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).