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

C18H20N4O4 — CID 133279381

IUPAC2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
SMILESCOc1cccc(C2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)c1
InChIInChI=1S/C18H20N4O4/c1-26-15-4-2-3-13(9-15)12-5-7-21(8-6-12)18-16(17(19)23)10-14(11-20-18)22(24)25/h2-4,9-12H,5-8H2,1H3,(H2,19,23)
InChIKeyKSAXVXQKLPCQMD-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.48
Rot. Bonds5

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

2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide (PubChem CID 133279381) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
PubChem CID133279381
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
SMILESCOc1cccc(C2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)c1
InChIInChI=1S/C18H20N4O4/c1-26-15-4-2-3-13(9-15)12-5-7-21(8-6-12)18-16(17(19)23)10-14(11-20-18)22(24)25/h2-4,9-12H,5-8H2,1H3,(H2,19,23)
InChIKeyKSAXVXQKLPCQMD-UHFFFAOYSA-N
XLogP2.48
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.48
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-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133464882
2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280056
2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133363039
2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280156
2-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133349682
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-nitropyridine-3-carboxamide
CID 133344317
2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide
CID 133274548
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
1-(3-carbamoyl-5-nitro-2-pyridinyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776402
2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 122136129
N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide
CID 76934954

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide (CID 133279381) is 2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide is COc1cccc(C2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The InChIKey is KSAXVXQKLPCQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-26-15-4-2-3-13(9-15)12-5-7-21(8-6-12)18-16(17(19)23)10-14(11-20-18)22(24)25/h2-4,9-12H,5-8H2,1H3,(H2,19,23).
What are the key properties of 2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide?
2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133279381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).