N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide

C16H13ClF3N3O — CID 109151376

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(NC2CC2)nc1
InChIInChI=1S/C16H13ClF3N3O/c17-10-2-5-13(12(7-10)16(18,19)20)23-15(24)9-1-6-14(21-8-9)22-11-3-4-11/h1-2,5-8,11H,3-4H2,(H,21,22)(H,23,24)
InChIKeyCXAQDNUGMGFMDM-UHFFFAOYSA-N
MW355.75 g/mol
LogP4.58
Rot. Bonds4

About N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide (PubChem CID 109151376) has the molecular formula C16H13ClF3N3O and a molecular weight of 355.75 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide
PubChem CID109151376
Molecular FormulaC16H13ClF3N3O
Molecular Weight355.75 g/mol
Exact Mass355.07
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(NC2CC2)nc1
InChIInChI=1S/C16H13ClF3N3O/c17-10-2-5-13(12(7-10)16(18,19)20)23-15(24)9-1-6-14(21-8-9)22-11-3-4-11/h1-2,5-8,11H,3-4H2,(H,21,22)(H,23,24)
InChIKeyCXAQDNUGMGFMDM-UHFFFAOYSA-N
XLogP4.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.75
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274240
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250623
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161212
6-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109152458
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109153836
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152592
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide
CID 109295693
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide
CID 109160729
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250990
N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide
CID 109161029
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151940

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide (CID 109151376) is N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(NC2CC2)nc1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide?
The InChIKey is CXAQDNUGMGFMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N3O/c17-10-2-5-13(12(7-10)16(18,19)20)23-15(24)9-1-6-14(21-8-9)22-11-3-4-11/h1-2,5-8,11H,3-4H2,(H,21,22)(H,23,24).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide has a molecular weight of 355.75 g/mol, XLogP of 4.58, 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]-6-(cyclopropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109151376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).