N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide

C15H14Cl3N3O2 — CID 1106851

IUPACN-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide
SMILESCOc1ccccc1N[C@@H](NC(=O)c1ccccn1)C(Cl)(Cl)Cl
InChIInChI=1S/C15H14Cl3N3O2/c1-23-12-8-3-2-6-10(12)20-14(15(16,17)18)21-13(22)11-7-4-5-9-19-11/h2-9,14,20H,1H3,(H,21,22)/t14-/m0/s1
InChIKeyTYIFLICXKFAKRB-AWEZNQCLSA-N
MW374.66 g/mol
LogP3.63
Rot. Bonds5

About N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide

N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide (PubChem CID 1106851) has the molecular formula C15H14Cl3N3O2 and a molecular weight of 374.66 g/mol. Its IUPAC name is N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide
PubChem CID1106851
Molecular FormulaC15H14Cl3N3O2
Molecular Weight374.66 g/mol
Exact Mass373.02
IUPAC NameN-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide
SMILESCOc1ccccc1N[C@@H](NC(=O)c1ccccn1)C(Cl)(Cl)Cl
InChIInChI=1S/C15H14Cl3N3O2/c1-23-12-8-3-2-6-10(12)20-14(15(16,17)18)21-13(22)11-7-4-5-9-19-11/h2-9,14,20H,1H3,(H,21,22)/t14-/m0/s1
InChIKeyTYIFLICXKFAKRB-AWEZNQCLSA-N
XLogP3.63
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.66
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide
CID 770145
N-[(1S)-2,2,2-trichloro-1-(2,5-dimethylanilino)ethyl]pyridine-2-carboxamide
CID 1106857
3-methyl-N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]butanamide
CID 2302469
3,4-dimethoxy-N-[(1S)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide
CID 1321917
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
N-[2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pentadecanamide
CID 4533011
3,4,5-trimethoxy-N-[2,2,2-trichloro-1-[(2-methoxyphenyl)carbamothioylamino]ethyl]benzamide
CID 2887204
N-[(1S)-1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 39853258
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 4877827
N'-[2-(2-methoxyphenyl)acetyl]pyridine-2-carbohydrazide
CID 27661730
N'-(2-hydroxy-3-methoxybenzoyl)pyridine-2-carbohydrazide
CID 69094543
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide (CID 1106851) is N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide is COc1ccccc1N[C@@H](NC(=O)c1ccccn1)C(Cl)(Cl)Cl.
What is the InChIKey of N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide?
The InChIKey is TYIFLICXKFAKRB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14Cl3N3O2/c1-23-12-8-3-2-6-10(12)20-14(15(16,17)18)21-13(22)11-7-4-5-9-19-11/h2-9,14,20H,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide?
N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide has a molecular weight of 374.66 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 1106851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).