N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide

C20H17N5O3 — CID 6032239

IUPACN-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
SMILESCOc1ccc([N+](=O)[O-])cc1/C=N\N/C(=N/c1ccccc1)c1ccccn1
InChIInChI=1S/C20H17N5O3/c1-28-19-11-10-17(25(26)27)13-15(19)14-22-24-20(18-9-5-6-12-21-18)23-16-7-3-2-4-8-16/h2-14H,1H3,(H,23,24)/b22-14-
InChIKeyGHKRGYDBUADJIZ-HMAPJEAMSA-N
MW375.39 g/mol
LogP3.70
Rot. Bonds6

About N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide

N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide (PubChem CID 6032239) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
PubChem CID6032239
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
SMILESCOc1ccc([N+](=O)[O-])cc1/C=N\N/C(=N/c1ccccc1)c1ccccn1
InChIInChI=1S/C20H17N5O3/c1-28-19-11-10-17(25(26)27)13-15(19)14-22-24-20(18-9-5-6-12-21-18)23-16-7-3-2-4-8-16/h2-14H,1H3,(H,23,24)/b22-14-
InChIKeyGHKRGYDBUADJIZ-HMAPJEAMSA-N
XLogP3.70
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 3412202
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 135683256
[(2-methoxy-5-nitrophenyl)methylideneamino]thiourea
CID 57359197
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
CID 3097180
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 135785158
N-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
CID 5339907
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5411322
3-[(2-methoxy-5-nitrophenyl)methylideneamino]benzoic acid
CID 690081
N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 4264071
N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-4-methylbenzenecarbothioamide
CID 94845840
N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6866321
ethyl N-[[2-[2-(2-methoxyphenoxy)ethoxy]-5-nitrophenyl]methylideneamino]carbamate
CID 3783954

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide?
The IUPAC name of N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide (CID 6032239) is N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide.
What is the SMILES notation for N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide?
The canonical SMILES for N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide is COc1ccc([N+](=O)[O-])cc1/C=N\N/C(=N/c1ccccc1)c1ccccn1.
What is the InChIKey of N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide?
The InChIKey is GHKRGYDBUADJIZ-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-28-19-11-10-17(25(26)27)13-15(19)14-22-24-20(18-9-5-6-12-21-18)23-16-7-3-2-4-8-16/h2-14H,1H3,(H,23,24)/b22-14-.
What are the key properties of N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide?
N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide has a molecular weight of 375.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide is sourced from PubChem (CID 6032239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).