5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide

C16H13ClN4O3 — CID 56804285

IUPAC5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide
SMILESCc1cccc2nc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cn12
InChIInChI=1S/C16H13ClN4O3/c1-10-3-2-4-15-19-12(9-20(10)15)8-18-16(22)13-7-11(17)5-6-14(13)21(23)24/h2-7,9H,8H2,1H3,(H,18,22)
InChIKeyAMSNJJHDTGAFPY-UHFFFAOYSA-N
MW344.76 g/mol
LogP3.13
Rot. Bonds4

About 5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide

5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide (PubChem CID 56804285) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is 5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide
PubChem CID56804285
Molecular FormulaC16H13ClN4O3
Molecular Weight344.76 g/mol
Exact Mass344.07
IUPAC Name5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide
SMILESCc1cccc2nc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cn12
InChIInChI=1S/C16H13ClN4O3/c1-10-3-2-4-15-19-12(9-20(10)15)8-18-16(22)13-7-11(17)5-6-14(13)21(23)24/h2-7,9H,8H2,1H3,(H,18,22)
InChIKeyAMSNJJHDTGAFPY-UHFFFAOYSA-N
XLogP3.13
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-nitrobenzamide
CID 121122589
5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 62186371
5-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-nitrobenzamide
CID 61053482
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
5-chloro-N-[(2,6-dimethoxyphenyl)methyl]-2-nitrobenzamide
CID 68546575
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline
CID 133296622
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 103861027
5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-nitrobenzamide
CID 112794669
5-chloro-N-[2-(methylamino)ethyl]-2-nitrobenzamide
CID 55101050
5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-nitrobenzamide
CID 9069339
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 65107531
2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide
CID 133296638

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide (CID 56804285) is 5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide is Cc1cccc2nc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cn12.
What is the InChIKey of 5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide?
The InChIKey is AMSNJJHDTGAFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3/c1-10-3-2-4-15-19-12(9-20(10)15)8-18-16(22)13-7-11(17)5-6-14(13)21(23)24/h2-7,9H,8H2,1H3,(H,18,22).
What are the key properties of 5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide?
5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide has a molecular weight of 344.76 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 56804285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).