2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide

C17H17N5O3 — CID 9185042

IUPAC2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2ccccc2n1
InChIInChI=1S/C17H17N5O3/c1-20(2)15-7-6-13(22(24)25)9-14(15)17(23)18-10-12-11-21-8-4-3-5-16(21)19-12/h3-9,11H,10H2,1-2H3,(H,18,23)
InChIKeyRMEFJFIPCCUPPG-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.24
Rot. Bonds5

About 2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide

2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide (PubChem CID 9185042) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide
PubChem CID9185042
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2ccccc2n1
InChIInChI=1S/C17H17N5O3/c1-20(2)15-7-6-13(22(24)25)9-14(15)17(23)18-10-12-11-21-8-4-3-5-16(21)19-12/h3-9,11H,10H2,1-2H3,(H,18,23)
InChIKeyRMEFJFIPCCUPPG-UHFFFAOYSA-N
XLogP2.24
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 9206110
2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide
CID 9034384
2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline
CID 36783664
2-(dimethylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 31787443
2-(dimethylamino)-N-[(4-methylsulfonylphenyl)methyl]-5-nitrobenzamide
CID 60553619
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide
CID 17397246
2-(dimethylamino)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 47099164
2-(dimethylamino)-N-(2-methoxyethyl)-5-nitrobenzamide
CID 29198574
2-(dimethylamino)-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide
CID 31746360
2-N,6-N-bis(imidazo[1,2-a]pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 43063902
2-(dimethylamino)-5-nitro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55785970
2-(dimethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-nitrobenzamide
CID 34487244

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide?
The IUPAC name of 2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide (CID 9185042) is 2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide.
What is the SMILES notation for 2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide?
The canonical SMILES for 2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide is CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2ccccc2n1.
What is the InChIKey of 2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide?
The InChIKey is RMEFJFIPCCUPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-20(2)15-7-6-13(22(24)25)9-14(15)17(23)18-10-12-11-21-8-4-3-5-16(21)19-12/h3-9,11H,10H2,1-2H3,(H,18,23).
What are the key properties of 2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide?
2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide has a molecular weight of 339.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide is sourced from PubChem (CID 9185042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).