4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide

C15H14Cl3N4O+ — CID 135938159

IUPAC4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide
SMILESNc1c(Cl)c(Cl)[nH+]c(C(=O)N/N=C\CCc2ccccc2)c1Cl
InChIInChI=1S/C15H13Cl3N4O/c16-10-12(19)11(17)14(18)21-13(10)15(23)22-20-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2,(H2,19,21)(H,22,23)/p+1/b20-8-
InChIKeyVWKXEZJSMYCOON-ZBKNUEDVSA-O
MW372.66 g/mol
LogP3.39
Rot. Bonds5

About 4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide

4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide (PubChem CID 135938159) has the molecular formula C15H14Cl3N4O+ and a molecular weight of 372.66 g/mol. Its IUPAC name is 4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide.

Molecular Properties

Compound Name4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide
PubChem CID135938159
Molecular FormulaC15H14Cl3N4O+
Molecular Weight372.66 g/mol
Exact Mass371.02
IUPAC Name4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide
SMILESNc1c(Cl)c(Cl)[nH+]c(C(=O)N/N=C\CCc2ccccc2)c1Cl
InChIInChI=1S/C15H13Cl3N4O/c16-10-12(19)11(17)14(18)21-13(10)15(23)22-20-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2,(H2,19,21)(H,22,23)/p+1/b20-8-
InChIKeyVWKXEZJSMYCOON-ZBKNUEDVSA-O
XLogP3.39
TPSA81.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.66
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-3-phenylpropylideneamino]pyridin-1-ium-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-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 9070990
4-amino-3,5,6-trichloro-N-[(Z)-1-phenylbutylideneamino]pyridin-1-ium-2-carboxamide
CID 135867652
4-amino-3,5,6-trichloro-N-[(E)-2-ethylbutylideneamino]pyridin-1-ium-2-carboxamide
CID 135850574
N'-(3-phenylpropylideneamino)oxamide
CID 4674915
4-amino-3,5,6-trichloro-N-(1,3-dihydroinden-2-ylideneamino)pyridin-1-ium-2-carboxamide
CID 135577234
2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 6167481
3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide
CID 6263341
4-amino-3,5,6-trichloro-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]pyridin-1-ium-2-carboxamide
CID 135850551
4-amino-3,5,6-trichloro-N-[(E)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-1-ium-2-carboxamide
CID 135590406
2-cyano-N-(3-phenylpropylideneamino)acetamide
CID 5104820
N-(3-phenylpropylideneamino)-2-pyridin-2-ylquinoline-4-carboxamide
CID 3304435
N-(3-phenylpropylideneamino)dodecanamide
CID 3728089

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide?
The IUPAC name of 4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide (CID 135938159) is 4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide.
What is the SMILES notation for 4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide?
The canonical SMILES for 4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide is Nc1c(Cl)c(Cl)[nH+]c(C(=O)N/N=C\CCc2ccccc2)c1Cl.
What is the InChIKey of 4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide?
The InChIKey is VWKXEZJSMYCOON-ZBKNUEDVSA-O. The full InChI is InChI=1S/C15H13Cl3N4O/c16-10-12(19)11(17)14(18)21-13(10)15(23)22-20-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2,(H2,19,21)(H,22,23)/p+1/b20-8-.
What are the key properties of 4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide?
4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide has a molecular weight of 372.66 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide is sourced from PubChem (CID 135938159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).