4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide

C15H13Cl3N4O2 — CID 9395129

IUPAC4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide
SMILESC[C@@H]1C[C@H]1c1ccc(/C=N\NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)o1
InChIInChI=1S/C15H13Cl3N4O2/c1-6-4-8(6)9-3-2-7(24-9)5-20-22-15(23)13-10(16)12(19)11(17)14(18)21-13/h2-3,5-6,8H,4H2,1H3,(H2,19,21)(H,22,23)/b20-5-/t6-,8-/m1/s1
InChIKeyAACVBBCCAOVRLK-ARANVLJCSA-N
MW387.65 g/mol
LogP4.10
Rot. Bonds4

About 4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide

4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide (PubChem CID 9395129) has the molecular formula C15H13Cl3N4O2 and a molecular weight of 387.65 g/mol. Its IUPAC name is 4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide
PubChem CID9395129
Molecular FormulaC15H13Cl3N4O2
Molecular Weight387.65 g/mol
Exact Mass386.01
IUPAC Name4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide
SMILESC[C@@H]1C[C@H]1c1ccc(/C=N\NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)o1
InChIInChI=1S/C15H13Cl3N4O2/c1-6-4-8(6)9-3-2-7(24-9)5-20-22-15(23)13-10(16)12(19)11(17)14(18)21-13/h2-3,5-6,8H,4H2,1H3,(H2,19,21)(H,22,23)/b20-5-/t6-,8-/m1/s1
InChIKeyAACVBBCCAOVRLK-ARANVLJCSA-N
XLogP4.10
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide 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

4-amino-3,5,6-trichloro-N-[(E)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-1-ium-2-carboxamide
CID 135590406
4-fluoro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9390659
4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 135719888
4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9391276
4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide
CID 2091351
tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate
CID 9391101
4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 2487316
4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide
CID 9395667
4-amino-3,5,6-trichloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6903577
N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 9390561
N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 9394597
4-amino-3,5,6-trichloro-N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136781547

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide?
The IUPAC name of 4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide (CID 9395129) is 4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide is C[C@@H]1C[C@H]1c1ccc(/C=N\NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)o1.
What is the InChIKey of 4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide?
The InChIKey is AACVBBCCAOVRLK-ARANVLJCSA-N. The full InChI is InChI=1S/C15H13Cl3N4O2/c1-6-4-8(6)9-3-2-7(24-9)5-20-22-15(23)13-10(16)12(19)11(17)14(18)21-13/h2-3,5-6,8H,4H2,1H3,(H2,19,21)(H,22,23)/b20-5-/t6-,8-/m1/s1.
What are the key properties of 4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide?
4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide has a molecular weight of 387.65 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 9395129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).