4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide

C16H14N4O3 — CID 90538457

IUPAC4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cnn3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14N4O3/c1-11-5-6-12(8-15(11)20(22)23)16(21)17-9-13-10-18-19-7-3-2-4-14(13)19/h2-8,10H,9H2,1H3,(H,17,21)
InChIKeyKTNQNLUJKLPARJ-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.48
Rot. Bonds4

About 4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide

4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide (PubChem CID 90538457) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
PubChem CID90538457
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cnn3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14N4O3/c1-11-5-6-12(8-15(11)20(22)23)16(21)17-9-13-10-18-19-7-3-2-4-14(13)19/h2-8,10H,9H2,1H3,(H,17,21)
InChIKeyKTNQNLUJKLPARJ-UHFFFAOYSA-N
XLogP2.48
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.48
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

4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 90538445
4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 19329175
3-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 90538443
N-[(2-ethoxyphenyl)methyl]-4-methyl-3-nitrobenzamide
CID 53279519
2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311845
4-methyl-N-[(4-methylphenyl)methyl]-3-nitrobenzamide
CID 2671607
4-methyl-3-nitro-N-propylbenzamide
CID 2057629
4-piperidin-1-ylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 71790720
N-(2-acetamidoethyl)-4-methyl-3-nitrobenzamide
CID 30595645
N-[(4-cyanophenyl)methyl]-4-methyl-3-nitrobenzamide
CID 46483671
5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311794
4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311796

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide (CID 90538457) is 4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide is Cc1ccc(C(=O)NCc2cnn3ccccc23)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is KTNQNLUJKLPARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-11-5-6-12(8-15(11)20(22)23)16(21)17-9-13-10-18-19-7-3-2-4-14(13)19/h2-8,10H,9H2,1H3,(H,17,21).
What are the key properties of 4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide?
4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 310.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 90538457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).