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

C16H13N5O2 — CID 50854673

IUPAC5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(N/N=C\c2ccn(-c3ccccc3)c2)nc1
InChIInChI=1S/C16H13N5O2/c22-21(23)15-6-7-16(17-11-15)19-18-10-13-8-9-20(12-13)14-4-2-1-3-5-14/h1-12H,(H,17,19)/b18-10-
InChIKeyLBINYXRKBOIGHK-ZDLGFXPLSA-N
MW307.31 g/mol
LogP3.23
Rot. Bonds5

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

5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine (PubChem CID 50854673) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine
PubChem CID50854673
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(N/N=C\c2ccn(-c3ccccc3)c2)nc1
InChIInChI=1S/C16H13N5O2/c22-21(23)15-6-7-16(17-11-15)19-18-10-13-8-9-20(12-13)14-4-2-1-3-5-14/h1-12H,(H,17,19)/b18-10-
InChIKeyLBINYXRKBOIGHK-ZDLGFXPLSA-N
XLogP3.23
TPSA85.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzoic acid
CID 5065997
N-[(Z)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-5-nitropyridin-2-amine
CID 126026118
5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine
CID 135810238
N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine
CID 3600919
[2,6-dibromo-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 3645506
N-[(Z)-(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-5-nitropyridin-2-amine
CID 126074663
N-[(2-chloro-5-nitrophenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3684648
2,6-dimethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135473372
N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine
CID 135549675
4-nitro-N-[(Z)-(4-pyrrol-1-ylphenyl)methylideneamino]aniline
CID 40606782
4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
3-[[4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 3658608

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine (CID 50854673) is 5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine is O=[N+]([O-])c1ccc(N/N=C\c2ccn(-c3ccccc3)c2)nc1.
What is the InChIKey of 5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine?
The InChIKey is LBINYXRKBOIGHK-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H13N5O2/c22-21(23)15-6-7-16(17-11-15)19-18-10-13-8-9-20(12-13)14-4-2-1-3-5-14/h1-12H,(H,17,19)/b18-10-.
What are the key properties of 5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine?
5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine has a molecular weight of 307.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 50854673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).