N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine

C11H11N5O2 — CID 126124527

IUPACN-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine
SMILESCn1cccc1/C=N\Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C11H11N5O2/c1-15-7-3-4-9(15)8-13-14-11-10(16(17)18)5-2-6-12-11/h2-8H,1H3,(H,12,14)/b13-8-
InChIKeyPFCSUJICPFVOIU-JYRVWZFOSA-N
MW245.24 g/mol
LogP1.77
Rot. Bonds4

About N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine

N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine (PubChem CID 126124527) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine
PubChem CID126124527
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC NameN-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine
SMILESCn1cccc1/C=N\Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C11H11N5O2/c1-15-7-3-4-9(15)8-13-14-11-10(16(17)18)5-2-6-12-11/h2-8H,1H3,(H,12,14)/b13-8-
InChIKeyPFCSUJICPFVOIU-JYRVWZFOSA-N
XLogP1.77
TPSA85.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', '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-[(Z)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126072265
N-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126110373
3-nitro-N-[(Z)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]pyridin-2-amine
CID 50853900
3-[2-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126081987
N-[(Z)-furan-3-ylmethylideneamino]-3-nitropyridin-2-amine
CID 126100579
N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126106016
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3091226
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2,4-dinitroaniline
CID 42994998
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126105865
3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine
CID 126111430
3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine
CID 2740940
N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-3-nitropyridin-2-amine
CID 50855454

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine?
The IUPAC name of N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine (CID 126124527) is N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine?
The canonical SMILES for N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine is Cn1cccc1/C=N\Nc1ncccc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine?
The InChIKey is PFCSUJICPFVOIU-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-15-7-3-4-9(15)8-13-14-11-10(16(17)18)5-2-6-12-11/h2-8H,1H3,(H,12,14)/b13-8-.
What are the key properties of N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine?
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine has a molecular weight of 245.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine is sourced from PubChem (CID 126124527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).