N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide

C11H15ClN4O2 — CID 90802137

IUPACN-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide
SMILESCCN(Cc1ccc(Cl)cn1)/C(C[N+](=O)[O-])=N/C
InChIInChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-10-5-4-9(12)6-14-10/h4-6H,3,7-8H2,1-2H3/b13-11+
InChIKeyMWZJVYQIYMQFDI-ACCUITESSA-N
MW270.72 g/mol
LogP1.86
Rot. Bonds5

About N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide

N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide (PubChem CID 90802137) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide
PubChem CID90802137
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC NameN-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide
SMILESCCN(Cc1ccc(Cl)cn1)/C(C[N+](=O)[O-])=N/C
InChIInChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-10-5-4-9(12)6-14-10/h4-6H,3,7-8H2,1-2H3/b13-11+
InChIKeyMWZJVYQIYMQFDI-ACCUITESSA-N
XLogP1.86
TPSA71.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chloro-2-pyridinyl)methyl]-N-methylethanamine
CID 130634861
1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine
CID 126971830
N,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide
CID 91262750
N-[(5-chloro-2-pyridinyl)methyl]-N'-cyano-N-(3,3-difluoroprop-2-enyl)ethanimidamide
CID 59202008
(5-chloro-2-pyridinyl)methyl acetate
CID 14517150
(Z)-1-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-2-nitroethenamine
CID 139215049
5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 115771489
N,N-diethyl-2-nitroacetamide
CID 108814427
(3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 169102294
5-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 126994087
N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-1-nitrobut-1-en-2-amine
CID 58031189
1-(6-chloro-3-pyridinyl)-N-ethyl-3-nitropropan-2-imine
CID 91379338

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide?
The IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide (CID 90802137) is N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide is CCN(Cc1ccc(Cl)cn1)/C(C[N+](=O)[O-])=N/C.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide?
The InChIKey is MWZJVYQIYMQFDI-ACCUITESSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-10-5-4-9(12)6-14-10/h4-6H,3,7-8H2,1-2H3/b13-11+.
What are the key properties of N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide?
N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide has a molecular weight of 270.72 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide is sourced from PubChem (CID 90802137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).