N,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide

C14H19N5O3 — CID 18095657

IUPACN,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide
SMILESCCN(CC)C(=O)CN(C)c1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C14H19N5O3/c1-4-17(5-2)12(20)10-16(3)13-14(19(21)22)18-9-7-6-8-11(18)15-13/h6-9H,4-5,10H2,1-3H3
InChIKeyGGJIMRQYCHVWKW-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.55
Rot. Bonds6

About N,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide

N,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide (PubChem CID 18095657) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is N,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide
PubChem CID18095657
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC NameN,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide
SMILESCCN(CC)C(=O)CN(C)c1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C14H19N5O3/c1-4-17(5-2)12(20)10-16(3)13-14(19(21)22)18-9-7-6-8-11(18)15-13/h6-9H,4-5,10H2,1-3H3
InChIKeyGGJIMRQYCHVWKW-UHFFFAOYSA-N
XLogP1.55
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide?
The IUPAC name of N,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide (CID 18095657) is N,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide?
The canonical SMILES for N,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide is CCN(CC)C(=O)CN(C)c1nc2ccccn2c1[N+](=O)[O-].
What is the InChIKey of N,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide?
The InChIKey is GGJIMRQYCHVWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-4-17(5-2)12(20)10-16(3)13-14(19(21)22)18-9-7-6-8-11(18)15-13/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide?
N,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide has a molecular weight of 305.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide is sourced from PubChem (CID 18095657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).