methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate

C15H15Cl2N5O2 — CID 123643244

IUPACmethyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate
SMILES[H]/N=C(\OC)c1cnc(NC(=O)NCc2ccc(Cl)c(Cl)c2)cc1N
InChIInChI=1S/C15H15Cl2N5O2/c1-24-14(19)9-7-20-13(5-12(9)18)22-15(23)21-6-8-2-3-10(16)11(17)4-8/h2-5,7,19H,6H2,1H3,(H4,18,20,21,22,23)/b19-14-
InChIKeyAQSQFBGEBIFMOY-RGEXLXHISA-N
MW368.22 g/mol
LogP3.26
Rot. Bonds4

About methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate

methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate (PubChem CID 123643244) has the molecular formula C15H15Cl2N5O2 and a molecular weight of 368.22 g/mol. Its IUPAC name is methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate.

Molecular Properties

Compound Namemethyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate
PubChem CID123643244
Molecular FormulaC15H15Cl2N5O2
Molecular Weight368.22 g/mol
Exact Mass367.06
IUPAC Namemethyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate
SMILES[H]/N=C(\OC)c1cnc(NC(=O)NCc2ccc(Cl)c(Cl)c2)cc1N
InChIInChI=1S/C15H15Cl2N5O2/c1-24-14(19)9-7-20-13(5-12(9)18)22-15(23)21-6-8-2-3-10(16)11(17)4-8/h2-5,7,19H,6H2,1H3,(H4,18,20,21,22,23)/b19-14-
InChIKeyAQSQFBGEBIFMOY-RGEXLXHISA-N
XLogP3.26
TPSA113.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate 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

1-(4-amino-5-carbamimidoyl-2-pyridinyl)-3-[(3-chloro-4-fluorophenyl)methyl]urea
CID 135293249
2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate
CID 144599200
ethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate
CID 144599211
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619
1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea
CID 3868754
methyl 2-[(3,4-dichlorophenyl)methylcarbamoylamino]benzoate
CID 1294805
1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea
CID 118380837
1-(4-chloro-2-pyridinyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896855
1-(4-amino-3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896754
1-[(3,4-dichlorophenyl)methyl]-3-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121432318
2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide
CID 69169188
4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide
CID 86819891

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate?
The IUPAC name of methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate (CID 123643244) is methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate.
What is the SMILES notation for methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate?
The canonical SMILES for methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate is [H]/N=C(\OC)c1cnc(NC(=O)NCc2ccc(Cl)c(Cl)c2)cc1N.
What is the InChIKey of methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate?
The InChIKey is AQSQFBGEBIFMOY-RGEXLXHISA-N. The full InChI is InChI=1S/C15H15Cl2N5O2/c1-24-14(19)9-7-20-13(5-12(9)18)22-15(23)21-6-8-2-3-10(16)11(17)4-8/h2-5,7,19H,6H2,1H3,(H4,18,20,21,22,23)/b19-14-.
What are the key properties of methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate?
methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate has a molecular weight of 368.22 g/mol, XLogP of 3.26, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate is sourced from PubChem (CID 123643244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).