N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide

C16H15ClF3N3O — CID 109179811

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCC(C)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc1
InChIInChI=1S/C16H15ClF3N3O/c1-9(2)22-11-4-6-14(21-8-11)15(24)23-13-5-3-10(17)7-12(13)16(18,19)20/h3-9,22H,1-2H3,(H,23,24)
InChIKeyVTQPIISVTYSDIY-UHFFFAOYSA-N
MW357.76 g/mol
LogP4.83
Rot. Bonds4

About N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 109179811) has the molecular formula C16H15ClF3N3O and a molecular weight of 357.76 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
PubChem CID109179811
Molecular FormulaC16H15ClF3N3O
Molecular Weight357.76 g/mol
Exact Mass357.09
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCC(C)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc1
InChIInChI=1S/C16H15ClF3N3O/c1-9(2)22-11-4-6-14(21-8-11)15(24)23-13-5-3-10(17)7-12(13)16(18,19)20/h3-9,22H,1-2H3,(H,23,24)
InChIKeyVTQPIISVTYSDIY-UHFFFAOYSA-N
XLogP4.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195266
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223532
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109574
N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179760
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-2-carboxamide
CID 109194819
5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184357
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide
CID 110705369
N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide
CID 113022034
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274240
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide (CID 109179811) is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide is CC(C)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is VTQPIISVTYSDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O/c1-9(2)22-11-4-6-14(21-8-11)15(24)23-13-5-3-10(17)7-12(13)16(18,19)20/h3-9,22H,1-2H3,(H,23,24).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 357.76 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109179811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).