N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide

C19H21N5O4 — CID 135615493

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C(c1ccncc1)N1CCCCC1
InChIInChI=1S/C19H21N5O4/c25-17-5-4-16(24(27)28)12-15(17)13-21-22-19(26)18(14-6-8-20-9-7-14)23-10-2-1-3-11-23/h4-9,12-13,18,25H,1-3,10-11H2,(H,22,26)/b21-13+
InChIKeyMBARHMGNBYRUFR-FYJGNVAPSA-N
MW383.41 g/mol
LogP2.37
Rot. Bonds6

About N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide (PubChem CID 135615493) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide
PubChem CID135615493
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C(c1ccncc1)N1CCCCC1
InChIInChI=1S/C19H21N5O4/c25-17-5-4-16(24(27)28)12-15(17)13-21-22-19(26)18(14-6-8-20-9-7-14)23-10-2-1-3-11-23/h4-9,12-13,18,25H,1-3,10-11H2,(H,22,26)/b21-13+
InChIKeyMBARHMGNBYRUFR-FYJGNVAPSA-N
XLogP2.37
TPSA120.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide
CID 4648875
(2S)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylsulfanylpropanamide
CID 135619152
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
(2S)-2-(4-bromoanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 137207087
(2S)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 135830802
2-(4-chloroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 135957595
2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135582572
2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4111159
2-(4-bromophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 135472513
2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135715830
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 135683234

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide (CID 135615493) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide is O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C(c1ccncc1)N1CCCCC1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide?
The InChIKey is MBARHMGNBYRUFR-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H21N5O4/c25-17-5-4-16(24(27)28)12-15(17)13-21-22-19(26)18(14-6-8-20-9-7-14)23-10-2-1-3-11-23/h4-9,12-13,18,25H,1-3,10-11H2,(H,22,26)/b21-13+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide?
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide has a molecular weight of 383.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-piperidin-1-yl-2-pyridin-4-ylacetamide is sourced from PubChem (CID 135615493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).