5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine

C17H20N4O2 — CID 133439624

IUPAC5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCc2ccccc2N2CCCCC2)nc1
InChIInChI=1S/C17H20N4O2/c22-21(23)15-8-9-17(19-13-15)18-12-14-6-2-3-7-16(14)20-10-4-1-5-11-20/h2-3,6-9,13H,1,4-5,10-12H2,(H,18,19)
InChIKeyAQQUITPJTMWABQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.59
Rot. Bonds5

About 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine

5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine (PubChem CID 133439624) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine
PubChem CID133439624
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCc2ccccc2N2CCCCC2)nc1
InChIInChI=1S/C17H20N4O2/c22-21(23)15-8-9-17(19-13-15)18-12-14-6-2-3-7-16(14)20-10-4-1-5-11-20/h2-3,6-9,13H,1,4-5,10-12H2,(H,18,19)
InChIKeyAQQUITPJTMWABQ-UHFFFAOYSA-N
XLogP3.59
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.59
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

3-bromo-5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine
CID 133439643
2-[2-[[(5-nitro-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81311809
4-nitro-2-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide
CID 133463578
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
methyl 5-nitro-2-[(2-pyrrolidin-1-ylphenyl)methylamino]benzoate
CID 55986596
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-5-nitropyridin-2-amine
CID 133385570
3-fluoro-2-nitro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 133439770
5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899460
1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone
CID 75384454
[2-nitro-5-[(2-piperidin-1-ylphenyl)methylamino]phenyl]-pyrrolidin-1-ylmethanone
CID 133439744
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-nitropyridin-2-amine
CID 133293288
6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile
CID 56821492

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine (CID 133439624) is 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine is O=[N+]([O-])c1ccc(NCc2ccccc2N2CCCCC2)nc1.
What is the InChIKey of 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine?
The InChIKey is AQQUITPJTMWABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-21(23)15-8-9-17(19-13-15)18-12-14-6-2-3-7-16(14)20-10-4-1-5-11-20/h2-3,6-9,13H,1,4-5,10-12H2,(H,18,19).
What are the key properties of 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine?
5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine has a molecular weight of 312.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 133439624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).