3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide

C15H10Cl4N2O — CID 97015086

IUPAC3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1C[C@H]1c1ccccc1)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H10Cl4N2O/c16-10-11(17)13(21-14(19)12(10)18)15(22)20-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,20,22)/t8-,9-/m0/s1
InChIKeyWYUVUHBZPVEMIK-IUCAKERBSA-N
MW376.07 g/mol
LogP4.98
Rot. Bonds3

About 3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide

3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide (PubChem CID 97015086) has the molecular formula C15H10Cl4N2O and a molecular weight of 376.07 g/mol. Its IUPAC name is 3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide
PubChem CID97015086
Molecular FormulaC15H10Cl4N2O
Molecular Weight376.07 g/mol
Exact Mass373.95
IUPAC Name3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1C[C@H]1c1ccccc1)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H10Cl4N2O/c16-10-11(17)13(21-14(19)12(10)18)15(22)20-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,20,22)/t8-,9-/m0/s1
InChIKeyWYUVUHBZPVEMIK-IUCAKERBSA-N
XLogP4.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.07
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
3-amino-5-methyl-N-(2-phenylcyclopropyl)pyrazine-2-carboxamide
CID 10038673
2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide
CID 115540566
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide
CID 134108990
2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 92859467
1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide
CID 86768199
3-hydroxy-4-methoxy-N-(2-phenylcyclopropyl)pyridine-2-carboxamide
CID 142649107
N-(2-phenylcyclopropyl)-2H-triazole-4-carboxamide
CID 47403665
2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
CID 118334207
8-hydroxy-N-(2-phenylcyclopropyl)quinoline-7-carboxamide
CID 20816868
4-hydrazinyl-N-(2-phenylcyclopropyl)benzamide
CID 62249097

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide?
The IUPAC name of 3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide (CID 97015086) is 3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide?
The canonical SMILES for 3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide is O=C(N[C@H]1C[C@H]1c1ccccc1)c1nc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide?
The InChIKey is WYUVUHBZPVEMIK-IUCAKERBSA-N. The full InChI is InChI=1S/C15H10Cl4N2O/c16-10-11(17)13(21-14(19)12(10)18)15(22)20-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,20,22)/t8-,9-/m0/s1.
What are the key properties of 3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide?
3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide has a molecular weight of 376.07 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 97015086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).