N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide

C16H15ClF3N3O — CID 109223532

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cncc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C16H15ClF3N3O/c1-9(2)22-12-5-10(7-21-8-12)15(24)23-14-4-3-11(17)6-13(14)16(18,19)20/h3-9,22H,1-2H3,(H,23,24)
InChIKeyVBLGCNPAQFEIHD-UHFFFAOYSA-N
MW357.76 g/mol
LogP4.83
Rot. Bonds4

About N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 109223532) 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-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID109223532
Molecular FormulaC16H15ClF3N3O
Molecular Weight357.76 g/mol
Exact Mass357.09
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cncc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C16H15ClF3N3O/c1-9(2)22-12-5-10(7-21-8-12)15(24)23-14-4-3-11(17)6-13(14)16(18,19)20/h3-9,22H,1-2H3,(H,23,24)
InChIKeyVBLGCNPAQFEIHD-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-(propan-2-ylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223495
N-(2,4-dichlorophenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223536
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179811
N-(2,5-dichlorophenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223537
5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109224708
3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102080
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109574
5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109240451
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223411
N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 46687715

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide (CID 109223532) is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cncc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is VBLGCNPAQFEIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O/c1-9(2)22-12-5-10(7-21-8-12)15(24)23-14-4-3-11(17)6-13(14)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-3-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-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-3-carboxamide is sourced from PubChem (CID 109223532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).