2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide

C15H18N6O3 — CID 133280056

IUPAC2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
SMILESCn1nccc1C1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1
InChIInChI=1S/C15H18N6O3/c1-19-13(2-5-18-19)10-3-6-20(7-4-10)15-12(14(16)22)8-11(9-17-15)21(23)24/h2,5,8-10H,3-4,6-7H2,1H3,(H2,16,22)
InChIKeySCCICRMHSSGIQT-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.21
Rot. Bonds4

About 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide

2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide (PubChem CID 133280056) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
PubChem CID133280056
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
SMILESCn1nccc1C1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1
InChIInChI=1S/C15H18N6O3/c1-19-13(2-5-18-19)10-3-6-20(7-4-10)15-12(14(16)22)8-11(9-17-15)21(23)24/h2,5,8-10H,3-4,6-7H2,1H3,(H2,16,22)
InChIKeySCCICRMHSSGIQT-UHFFFAOYSA-N
XLogP1.21
TPSA120.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
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

2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280156
2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133363039
2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133279381
2-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133349682
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide
CID 133344472
2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133278490
1-(3-carbamoyl-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371889
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133464882
1-(3-carbamoyl-5-nitro-2-pyridinyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776402
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-nitropyridine-3-carboxamide
CID 133344317
N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide
CID 76934954
3-[4-(2-methylpyrazol-3-yl)piperidine-1-carbonyl]-5-nitrobenzoic acid
CID 120549887

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide (CID 133280056) is 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide is Cn1nccc1C1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1.
What is the InChIKey of 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The InChIKey is SCCICRMHSSGIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-19-13(2-5-18-19)10-3-6-20(7-4-10)15-12(14(16)22)8-11(9-17-15)21(23)24/h2,5,8-10H,3-4,6-7H2,1H3,(H2,16,22).
What are the key properties of 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide?
2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133280056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).