2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide

C12H14N6O2 — CID 168656242

IUPAC2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C12H14N6O2/c1-14-12(20)9-3-2-4-15-11(9)18-7-8(5-10(18)19)6-16-17-13/h2-4,8H,5-7H2,1H3,(H,14,20)
InChIKeyTZSGVOJHVDGAAV-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.10
Rot. Bonds4

About 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide

2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 168656242) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID168656242
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C12H14N6O2/c1-14-12(20)9-3-2-4-15-11(9)18-7-8(5-10(18)19)6-16-17-13/h2-4,8H,5-7H2,1H3,(H,14,20)
InChIKeyTZSGVOJHVDGAAV-UHFFFAOYSA-N
XLogP1.10
TPSA111.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 168658114
1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168658459
4-(azidomethyl)-1-[2-(methylamino)phenyl]pyrrolidin-2-one
CID 168656259
4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one
CID 168658636
4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
CID 168658182
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide
CID 168662246
4-(azidomethyl)-1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]pyrrolidin-2-one
CID 168656998
methyl 6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-bromopyridine-3-carboxylate
CID 168656334
methyl 3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-6-iodopyrazine-2-carboxylate
CID 168656329
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one
CID 168656260
methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-bromopyridine-4-carboxylate
CID 168656337

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide (CID 168656242) is 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1N1CC(CN=[N+]=[N-])CC1=O.
What is the InChIKey of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is TZSGVOJHVDGAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-14-12(20)9-3-2-4-15-11(9)18-7-8(5-10(18)19)6-16-17-13/h2-4,8H,5-7H2,1H3,(H,14,20).
What are the key properties of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide?
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 168656242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).