N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

C19H22N4O3 — CID 87041286

IUPACN-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1
InChIInChI=1S/C19H22N4O3/c1-14-5-4-6-16(21-14)13-20-19(24)15-9-11-22(12-10-15)17-7-2-3-8-18(17)23(25)26/h2-8,15H,9-13H2,1H3,(H,20,24)
InChIKeyZRLGBNYZRNHISQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.83
Rot. Bonds5

About N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 87041286) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID87041286
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1
InChIInChI=1S/C19H22N4O3/c1-14-5-4-6-16(21-14)13-20-19(24)15-9-11-22(12-10-15)17-7-2-3-8-18(17)23(25)26/h2-8,15H,9-13H2,1H3,(H,20,24)
InChIKeyZRLGBNYZRNHISQ-UHFFFAOYSA-N
XLogP2.83
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55836642
N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 27659238
N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 32636358
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55812319
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55728023
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 46579766
N-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 37487616
1-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 51326573
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
1-(2-nitrophenyl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 42119835
N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 87041286) is N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide is Cc1cccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is ZRLGBNYZRNHISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14-5-4-6-16(21-14)13-20-19(24)15-9-11-22(12-10-15)17-7-2-3-8-18(17)23(25)26/h2-8,15H,9-13H2,1H3,(H,20,24).
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 87041286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).