4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide

C14H12Cl3N5O — CID 9214641

IUPAC4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide
SMILESC/C(=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1cccc(N)c1
InChIInChI=1S/C14H12Cl3N5O/c1-6(7-3-2-4-8(18)5-7)21-22-14(23)12-9(15)11(19)10(16)13(17)20-12/h2-5H,18H2,1H3,(H2,19,20)(H,22,23)/b21-6-
InChIKeyBUGNIZGNGBHGHH-MPUCSWFWSA-N
MW372.64 g/mol
LogP3.36
Rot. Bonds3

About 4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide

4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide (PubChem CID 9214641) has the molecular formula C14H12Cl3N5O and a molecular weight of 372.64 g/mol. Its IUPAC name is 4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide
PubChem CID9214641
Molecular FormulaC14H12Cl3N5O
Molecular Weight372.64 g/mol
Exact Mass371.01
IUPAC Name4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide
SMILESC/C(=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1cccc(N)c1
InChIInChI=1S/C14H12Cl3N5O/c1-6(7-3-2-4-8(18)5-7)21-22-14(23)12-9(15)11(19)10(16)13(17)20-12/h2-5H,18H2,1H3,(H2,19,20)(H,22,23)/b21-6-
InChIKeyBUGNIZGNGBHGHH-MPUCSWFWSA-N
XLogP3.36
TPSA106.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 9214603
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 9214514
4-amino-3,5,6-trichloro-N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 5098964
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
CID 5376677
N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 5336340
N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 4080719
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337828
N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
CID 922383
3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5391882
N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide?
The IUPAC name of 4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide (CID 9214641) is 4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide is C/C(=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1cccc(N)c1.
What is the InChIKey of 4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide?
The InChIKey is BUGNIZGNGBHGHH-MPUCSWFWSA-N. The full InChI is InChI=1S/C14H12Cl3N5O/c1-6(7-3-2-4-8(18)5-7)21-22-14(23)12-9(15)11(19)10(16)13(17)20-12/h2-5H,18H2,1H3,(H2,19,20)(H,22,23)/b21-6-.
What are the key properties of 4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide?
4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide has a molecular weight of 372.64 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide is sourced from PubChem (CID 9214641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).