1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol

C20H25N5O4 — CID 142663869

IUPAC1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol
SMILESO=[N+]([O-])c1ccc(N2CCC(O)CC2)nc1Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H25N5O4/c26-15-7-9-24(10-8-15)19-6-5-18(25(27)28)20(22-19)21-16-3-1-2-4-17(16)23-11-13-29-14-12-23/h1-6,15,26H,7-14H2,(H,21,22)
InChIKeyLGONDZCQXUCEGW-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.53
Rot. Bonds5

About 1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol

1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol (PubChem CID 142663869) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol
PubChem CID142663869
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol
SMILESO=[N+]([O-])c1ccc(N2CCC(O)CC2)nc1Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H25N5O4/c26-15-7-9-24(10-8-15)19-6-5-18(25(27)28)20(22-19)21-16-3-1-2-4-17(16)23-11-13-29-14-12-23/h1-6,15,26H,7-14H2,(H,21,22)
InChIKeyLGONDZCQXUCEGW-UHFFFAOYSA-N
XLogP2.53
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

1-[6-[2-(3-fluoropiperidin-1-yl)anilino]-5-nitro-2-pyridinyl]piperidin-4-ol
CID 67994696
[1-[4-[[6-(2-morpholin-4-ylanilino)-3-nitro-2-pyridinyl]amino]phenyl]cyclobutyl]carbamic acid
CID 71138864
N-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine
CID 83290506
4-(5-nitro-6-phenyl-2-pyridinyl)morpholine
CID 133407232
tert-butyl-[1-[4-[[6-(2-morpholin-4-ylanilino)-3-nitro-2-pyridinyl]amino]phenyl]cyclobutyl]carbamic acid
CID 71143901
1-[2-fluoro-4-[[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]amino]phenyl]piperidin-4-ol
CID 67994687
N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide
CID 112988851
N-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine
CID 123204141
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
3-(2-morpholin-4-ylanilino)quinoxaline-2-carboxamide
CID 11175504
N-(2-morpholin-4-ylphenyl)-6-nitro-1,3-benzodioxole-5-carboxamide
CID 39952080
2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine
CID 133390029

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol (CID 142663869) is 1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol is O=[N+]([O-])c1ccc(N2CCC(O)CC2)nc1Nc1ccccc1N1CCOCC1.
What is the InChIKey of 1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol?
The InChIKey is LGONDZCQXUCEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c26-15-7-9-24(10-8-15)19-6-5-18(25(27)28)20(22-19)21-16-3-1-2-4-17(16)23-11-13-29-14-12-23/h1-6,15,26H,7-14H2,(H,21,22).
What are the key properties of 1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol?
1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol has a molecular weight of 399.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 142663869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).