N-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine

C17H19N5O3 — CID 126074341

IUPACN-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine
SMILESCOc1cc(N2CCCC2)ccc1/C=N\Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C17H19N5O3/c1-25-16-11-14(21-9-2-3-10-21)7-6-13(16)12-19-20-17-15(22(23)24)5-4-8-18-17/h4-8,11-12H,2-3,9-10H2,1H3,(H,18,20)/b19-12-
InChIKeyRRGGYKPIQHGXDI-UNOMPAQXSA-N
MW341.37 g/mol
LogP3.04
Rot. Bonds6

About N-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine

N-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine (PubChem CID 126074341) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine
PubChem CID126074341
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine
SMILESCOc1cc(N2CCCC2)ccc1/C=N\Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C17H19N5O3/c1-25-16-11-14(21-9-2-3-10-21)7-6-13(16)12-19-20-17-15(22(23)24)5-4-8-18-17/h4-8,11-12H,2-3,9-10H2,1H3,(H,18,20)/b19-12-
InChIKeyRRGGYKPIQHGXDI-UNOMPAQXSA-N
XLogP3.04
TPSA92.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.04
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

N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126101162
2-methoxy-6-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135458786
3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine
CID 126106049
2-bromo-6-methoxy-4-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135642188
N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-3-nitropyridin-2-amine
CID 50855454
N-[(E)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126107569
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3091226
N-[(E)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 126237051
N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126114153
2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 137076452
N-[(Z)-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126108928
N-[(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126125993

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine?
The IUPAC name of N-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine (CID 126074341) is N-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine?
The canonical SMILES for N-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine is COc1cc(N2CCCC2)ccc1/C=N\Nc1ncccc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine?
The InChIKey is RRGGYKPIQHGXDI-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-25-16-11-14(21-9-2-3-10-21)7-6-13(16)12-19-20-17-15(22(23)24)5-4-8-18-17/h4-8,11-12H,2-3,9-10H2,1H3,(H,18,20)/b19-12-.
What are the key properties of N-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine?
N-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine has a molecular weight of 341.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine is sourced from PubChem (CID 126074341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).