1-(2,4-dimethoxyphenyl)-2-(3-nitro-2-pyridinyl)guanidine

C14H15N5O4 — CID 133185645

IUPAC1-(2,4-dimethoxyphenyl)-2-(3-nitro-2-pyridinyl)guanidine
SMILESCOc1ccc(N/C(N)=N/c2ncccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C14H15N5O4/c1-22-9-5-6-10(12(8-9)23-2)17-14(15)18-13-11(19(20)21)4-3-7-16-13/h3-8H,1-2H3,(H3,15,16,17,18)
InChIKeyVWKHVVHIBNLBBY-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.07
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-2-(3-nitro-2-pyridinyl)guanidine

1-(2,4-dimethoxyphenyl)-2-(3-nitro-2-pyridinyl)guanidine (PubChem CID 133185645) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-(3-nitro-2-pyridinyl)guanidine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-(3-nitro-2-pyridinyl)guanidine
PubChem CID133185645
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name1-(2,4-dimethoxyphenyl)-2-(3-nitro-2-pyridinyl)guanidine
SMILESCOc1ccc(N/C(N)=N/c2ncccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C14H15N5O4/c1-22-9-5-6-10(12(8-9)23-2)17-14(15)18-13-11(19(20)21)4-3-7-16-13/h3-8H,1-2H3,(H3,15,16,17,18)
InChIKeyVWKHVVHIBNLBBY-UHFFFAOYSA-N
XLogP2.07
TPSA124.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
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

methyl 4-[[N'-(3-nitro-2-pyridinyl)carbamimidoyl]amino]benzoate
CID 100574946
4-(4-methoxyphenyl)-N'-(3-nitro-2-pyridinyl)piperazine-1-carboximidamide
CID 100575531
N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide
CID 84549588
2-[(3-methoxyphenyl)methyl]-1-(3-nitro-2-pyridinyl)guanidine
CID 100574288
4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 61395996
2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-methyl-4-nitrobenzoate
CID 7759460
N-(2,4-dimethoxyphenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 8927273
2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 31728423
2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide
CID 2558490
7-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-nitroquinolin-8-ol
CID 131987064
6-N-(2-chloro-3-pyridinyl)-4-N-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23495058

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(3-nitro-2-pyridinyl)guanidine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(3-nitro-2-pyridinyl)guanidine (CID 133185645) is 1-(2,4-dimethoxyphenyl)-2-(3-nitro-2-pyridinyl)guanidine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-(3-nitro-2-pyridinyl)guanidine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-(3-nitro-2-pyridinyl)guanidine is COc1ccc(N/C(N)=N/c2ncccc2[N+](=O)[O-])c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-(3-nitro-2-pyridinyl)guanidine?
The InChIKey is VWKHVVHIBNLBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c1-22-9-5-6-10(12(8-9)23-2)17-14(15)18-13-11(19(20)21)4-3-7-16-13/h3-8H,1-2H3,(H3,15,16,17,18).
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-(3-nitro-2-pyridinyl)guanidine?
1-(2,4-dimethoxyphenyl)-2-(3-nitro-2-pyridinyl)guanidine has a molecular weight of 317.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-(3-nitro-2-pyridinyl)guanidine is sourced from PubChem (CID 133185645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).