2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide

C15H14N6O3 — CID 133296638

IUPAC2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide
SMILESCc1cccc2nc(CNc3ncc([N+](=O)[O-])cc3C(N)=O)cn12
InChIInChI=1S/C15H14N6O3/c1-9-3-2-4-13-19-10(8-20(9)13)6-17-15-12(14(16)22)5-11(7-18-15)21(23)24/h2-5,7-8H,6H2,1H3,(H2,16,22)(H,17,18)
InChIKeyXXASDZRPYOURPU-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.66
Rot. Bonds5

About 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide

2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide (PubChem CID 133296638) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide
PubChem CID133296638
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide
SMILESCc1cccc2nc(CNc3ncc([N+](=O)[O-])cc3C(N)=O)cn12
InChIInChI=1S/C15H14N6O3/c1-9-3-2-4-13-19-10(8-20(9)13)6-17-15-12(14(16)22)5-11(7-18-15)21(23)24/h2-5,7-8H,6H2,1H3,(H2,16,22)(H,17,18)
InChIKeyXXASDZRPYOURPU-UHFFFAOYSA-N
XLogP1.66
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline
CID 133296622
2-[(3-fluoro-4-methylphenyl)methylamino]-5-nitropyridine-3-carboxamide
CID 78862249
2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-nitropyridine-3-carboxamide
CID 133449076
5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 55100789
3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide
CID 133321609
5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide
CID 56804285
2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
CID 115303189
2-[[(3-carbamoyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 65226388
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide
CID 133275354
2-[(3-carbamoyl-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79799261
2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide
CID 133287204
2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide
CID 133491788

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide (CID 133296638) is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide is Cc1cccc2nc(CNc3ncc([N+](=O)[O-])cc3C(N)=O)cn12.
What is the InChIKey of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide?
The InChIKey is XXASDZRPYOURPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c1-9-3-2-4-13-19-10(8-20(9)13)6-17-15-12(14(16)22)5-11(7-18-15)21(23)24/h2-5,7-8H,6H2,1H3,(H2,16,22)(H,17,18).
What are the key properties of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide?
2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133296638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).