5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide

C12H14N6O3 — CID 94178450

IUPAC5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide
SMILESC[C@H](Cn1cccn1)Nc1ncc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C12H14N6O3/c1-8(7-17-4-2-3-15-17)16-12-10(11(13)19)5-9(6-14-12)18(20)21/h2-6,8H,7H2,1H3,(H2,13,19)(H,14,16)/t8-/m1/s1
InChIKeyVRGDUMWXYAACPC-MRVPVSSYSA-N
MW290.28 g/mol
LogP0.79
Rot. Bonds6

About 5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide

5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide (PubChem CID 94178450) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide
PubChem CID94178450
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide
SMILESC[C@H](Cn1cccn1)Nc1ncc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C12H14N6O3/c1-8(7-17-4-2-3-15-17)16-12-10(11(13)19)5-9(6-14-12)18(20)21/h2-6,8H,7H2,1H3,(H2,13,19)(H,14,16)/t8-/m1/s1
InChIKeyVRGDUMWXYAACPC-MRVPVSSYSA-N
XLogP0.79
TPSA128.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.79
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

5-nitro-2-(1-pyrazol-1-ylpropan-2-ylamino)benzoic acid
CID 61461042
2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide
CID 94178776
2-(1-aminohexan-2-ylamino)-5-nitropyridine-3-carboxamide
CID 80700351
5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 55100789
5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide
CID 61479644
6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80895976
2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]-5-nitropyridine-3-carboxamide
CID 95974455
6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 113345983
2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
CID 115303189
3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid
CID 62709836
2-[[(3-carbamoyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 65226388
6-(1-pyrazol-1-ylpropan-2-ylamino)pyridazine-3-carboxamide
CID 79099266

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide (CID 94178450) is 5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide is C[C@H](Cn1cccn1)Nc1ncc([N+](=O)[O-])cc1C(N)=O.
What is the InChIKey of 5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide?
The InChIKey is VRGDUMWXYAACPC-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-8(7-17-4-2-3-15-17)16-12-10(11(13)19)5-9(6-14-12)18(20)21/h2-6,8H,7H2,1H3,(H2,13,19)(H,14,16)/t8-/m1/s1.
What are the key properties of 5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide?
5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 94178450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).