4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide

C15H13Cl3N4O — CID 9214671

IUPAC4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide
SMILESC[C@@H](/C=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccccc1
InChIInChI=1S/C15H13Cl3N4O/c1-8(9-5-3-2-4-6-9)7-20-22-15(23)13-10(16)12(19)11(17)14(18)21-13/h2-8H,1H3,(H2,19,21)(H,22,23)/b20-7-/t8-/m0/s1
InChIKeyHBTNJEMJGITAOK-VCDONSGXSA-N
MW371.66 g/mol
LogP4.14
Rot. Bonds4

About 4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide

4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide (PubChem CID 9214671) has the molecular formula C15H13Cl3N4O and a molecular weight of 371.66 g/mol. Its IUPAC name is 4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide
PubChem CID9214671
Molecular FormulaC15H13Cl3N4O
Molecular Weight371.66 g/mol
Exact Mass370.02
IUPAC Name4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide
SMILESC[C@@H](/C=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccccc1
InChIInChI=1S/C15H13Cl3N4O/c1-8(9-5-3-2-4-6-9)7-20-22-15(23)13-10(16)12(19)11(17)14(18)21-13/h2-8H,1H3,(H2,19,21)(H,22,23)/b20-7-/t8-/m0/s1
InChIKeyHBTNJEMJGITAOK-VCDONSGXSA-N
XLogP4.14
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

4-amino-N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3,5,6-trichloropyridine-2-carboxamide
CID 42995579
4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 135719888
4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7353788
4-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7722367
4-amino-3,5,6-trichloro-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]pyridine-2-carboxamide
CID 110527745
2-[2-[[(4-amino-3,5,6-trichloropyridine-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 2693544
N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 21214243
2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide
CID 40571735
4-amino-3,5,6-trichloro-N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136781547
4-amino-3,5,6-trichloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6903577
2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7788018
4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5012984

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide?
The IUPAC name of 4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide (CID 9214671) is 4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide is C[C@@H](/C=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccccc1.
What is the InChIKey of 4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide?
The InChIKey is HBTNJEMJGITAOK-VCDONSGXSA-N. The full InChI is InChI=1S/C15H13Cl3N4O/c1-8(9-5-3-2-4-6-9)7-20-22-15(23)13-10(16)12(19)11(17)14(18)21-13/h2-8H,1H3,(H2,19,21)(H,22,23)/b20-7-/t8-/m0/s1.
What are the key properties of 4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide?
4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide has a molecular weight of 371.66 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide is sourced from PubChem (CID 9214671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).