3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine

C15H17N5O3 — CID 126106049

IUPAC3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1N/N=C\c1ccc(N2CCCCC2)o1
InChIInChI=1S/C15H17N5O3/c21-20(22)13-5-4-8-16-15(13)18-17-11-12-6-7-14(23-12)19-9-2-1-3-10-19/h4-8,11H,1-3,9-10H2,(H,16,18)/b17-11-
InChIKeySGWRHYRFKHEWTK-BOPFTXTBSA-N
MW315.33 g/mol
LogP3.02
Rot. Bonds5

About 3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine

3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine (PubChem CID 126106049) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine
PubChem CID126106049
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1N/N=C\c1ccc(N2CCCCC2)o1
InChIInChI=1S/C15H17N5O3/c21-20(22)13-5-4-8-16-15(13)18-17-11-12-6-7-14(23-12)19-9-2-1-3-10-19/h4-8,11H,1-3,9-10H2,(H,16,18)/b17-11-
InChIKeySGWRHYRFKHEWTK-BOPFTXTBSA-N
XLogP3.02
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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

3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine
CID 126096053
N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126100606
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126115052
N-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126074341
N-[(Z)-furan-3-ylmethylideneamino]-3-nitropyridin-2-amine
CID 126100579
N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126106016
4-methyl-3-[5-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126103601
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3091226
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126124527
2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide
CID 6138888
2-(4-nitrophenyl)-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide
CID 4519777
3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine
CID 126111430

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine?
The IUPAC name of 3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine (CID 126106049) is 3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine?
The canonical SMILES for 3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine is O=[N+]([O-])c1cccnc1N/N=C\c1ccc(N2CCCCC2)o1.
What is the InChIKey of 3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine?
The InChIKey is SGWRHYRFKHEWTK-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-20(22)13-5-4-8-16-15(13)18-17-11-12-6-7-14(23-12)19-9-2-1-3-10-19/h4-8,11H,1-3,9-10H2,(H,16,18)/b17-11-.
What are the key properties of 3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine?
3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine has a molecular weight of 315.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 126106049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).