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

C15H14N4O2 — CID 63311845

IUPAC2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESCc1c(NCc2cnn3ccccc23)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O2/c1-11-13(5-4-7-14(11)19(20)21)16-9-12-10-17-18-8-3-2-6-15(12)18/h2-8,10,16H,9H2,1H3
InChIKeyOXITZFASIICUKN-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.16
Rot. Bonds4

About 2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline

2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (PubChem CID 63311845) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
PubChem CID63311845
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESCc1c(NCc2cnn3ccccc23)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O2/c1-11-13(5-4-7-14(11)19(20)21)16-9-12-10-17-18-8-3-2-6-15(12)18/h2-8,10,16H,9H2,1H3
InChIKeyOXITZFASIICUKN-UHFFFAOYSA-N
XLogP3.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.16
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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-nitroaniline
CID 79578283
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
2-ethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63312135
2,3-difluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63315086
4-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 90538457
2-methyl-3-nitro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62472587
2-[2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)phenyl]acetamide
CID 63315386
2-methyl-3-nitro-N-(pyrazin-2-ylmethyl)aniline
CID 62763058
N-ethyl-2-methyl-3-nitroaniline
CID 43425875
2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509006
2-methoxy-4-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63315302

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The IUPAC name of 2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (CID 63311845) is 2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is Cc1c(NCc2cnn3ccccc23)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The InChIKey is OXITZFASIICUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-11-13(5-4-7-14(11)19(20)21)16-9-12-10-17-18-8-3-2-6-15(12)18/h2-8,10,16H,9H2,1H3.
What are the key properties of 2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline has a molecular weight of 282.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 63311845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).