5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide

C13H19N5O2 — CID 134162771

IUPAC5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc(CN=[N+]=[N-])o2)CC1
InChIInChI=1S/C13H19N5O2/c1-17-7-5-10(6-8-17)18(2)13(19)12-4-3-11(20-12)9-15-16-14/h3-4,10H,5-9H2,1-2H3
InChIKeyAONSBZQLMJAIQN-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.26
Rot. Bonds4

About 5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide

5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide (PubChem CID 134162771) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
PubChem CID134162771
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc(CN=[N+]=[N-])o2)CC1
InChIInChI=1S/C13H19N5O2/c1-17-7-5-10(6-8-17)18(2)13(19)12-4-3-11(20-12)9-15-16-14/h3-4,10H,5-9H2,1-2H3
InChIKeyAONSBZQLMJAIQN-UHFFFAOYSA-N
XLogP2.26
TPSA85.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
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

5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 82110625
5-ethyl-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 79094742
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43333302
[5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 134162813
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid
CID 55174998
2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 61092236
4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 123781612
5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide
CID 60725134
5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide
CID 55772175
5-[(4-fluorophenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 119441155
N-methyl-N-(1-methylpiperidin-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 123492991
2-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116082

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide?
The IUPAC name of 5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide (CID 134162771) is 5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide is CN1CCC(N(C)C(=O)c2ccc(CN=[N+]=[N-])o2)CC1.
What is the InChIKey of 5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide?
The InChIKey is AONSBZQLMJAIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-17-7-5-10(6-8-17)18(2)13(19)12-4-3-11(20-12)9-15-16-14/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide?
5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 134162771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).