N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine

C14H19N5O2 — CID 97226193

IUPACN-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine
SMILESCC[C@@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1cnn(CC)c1
InChIInChI=1S/C14H19N5O2/c1-4-12(11-8-15-18(5-2)9-11)17-14-7-6-13(19(20)21)10(3)16-14/h6-9,12H,4-5H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyAUAPWTXMCHRASI-GFCCVEGCSA-N
MW289.34 g/mol
LogP3.08
Rot. Bonds6

About N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine

N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine (PubChem CID 97226193) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine
PubChem CID97226193
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine
SMILESCC[C@@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1cnn(CC)c1
InChIInChI=1S/C14H19N5O2/c1-4-12(11-8-15-18(5-2)9-11)17-14-7-6-13(19(20)21)10(3)16-14/h6-9,12H,4-5H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyAUAPWTXMCHRASI-GFCCVEGCSA-N
XLogP3.08
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 69321388
2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 84588442
N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712316
2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 11424958
N-hex-1-yn-3-yl-6-methyl-5-nitropyridin-2-amine
CID 106231548
(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 11447797
1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol
CID 11436054
N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712210
(2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol
CID 11161107
N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382
6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine
CID 133446818
N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-2-(3-nitrophenyl)acetamide
CID 97217056

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine (CID 97226193) is N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine is CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1cnn(CC)c1.
What is the InChIKey of N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine?
The InChIKey is AUAPWTXMCHRASI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-12(11-8-15-18(5-2)9-11)17-14-7-6-13(19(20)21)10(3)16-14/h6-9,12H,4-5H2,1-3H3,(H,16,17)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine?
N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 97226193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).