2,8-dimethyl-N-[(2-nitrophenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide

C17H15N5O3 — CID 2802392

IUPAC2,8-dimethyl-N-[(2-nitrophenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(C)cccn2c1C(=O)NN=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15N5O3/c1-11-6-5-9-21-15(12(2)19-16(11)21)17(23)20-18-10-13-7-3-4-8-14(13)22(24)25/h3-10H,1-2H3,(H,20,23)
InChIKeyBSFCJALPGGCSDG-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.62
Rot. Bonds4

About 2,8-dimethyl-N-[(2-nitrophenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide

2,8-dimethyl-N-[(2-nitrophenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 2802392) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2,8-dimethyl-N-[(2-nitrophenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,8-dimethyl-N-[(2-nitrophenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID2802392
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name2,8-dimethyl-N-[(2-nitrophenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(C)cccn2c1C(=O)NN=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15N5O3/c1-11-6-5-9-21-15(12(2)19-16(11)21)17(23)20-18-10-13-7-3-4-8-14(13)22(24)25/h3-10H,1-2H3,(H,20,23)
InChIKeyBSFCJALPGGCSDG-UHFFFAOYSA-N
XLogP2.62
TPSA101.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

4-chloro-1,3-dimethyl-N-[(E)-(2-nitrophenyl)methylideneamino]pyrazole-5-carboxamide
CID 6874672
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline
CID 9014623
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide
CID 5403994
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854
N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6872935
2-[(2-methylphenyl)methylsulfanyl]-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 689763
3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6870532
2,4-dihydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332442
2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966530
4-hydroxy-3-methyl-N-[(2-nitrophenyl)methylideneamino]-1-benzofuran-5-carboxamide
CID 174851493
2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 5414501

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-N-[(2-nitrophenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2,8-dimethyl-N-[(2-nitrophenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide (CID 2802392) is 2,8-dimethyl-N-[(2-nitrophenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2,8-dimethyl-N-[(2-nitrophenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2,8-dimethyl-N-[(2-nitrophenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(C)cccn2c1C(=O)NN=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2,8-dimethyl-N-[(2-nitrophenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BSFCJALPGGCSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-11-6-5-9-21-15(12(2)19-16(11)21)17(23)20-18-10-13-7-3-4-8-14(13)22(24)25/h3-10H,1-2H3,(H,20,23).
What are the key properties of 2,8-dimethyl-N-[(2-nitrophenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
2,8-dimethyl-N-[(2-nitrophenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-N-[(2-nitrophenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 2802392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).