4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

C17H16F3N3O — CID 109204356

IUPAC4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc(NC2CCCC2)ccn1
InChIInChI=1S/C17H16F3N3O/c18-12-5-6-13(16(20)15(12)19)23-17(24)14-9-11(7-8-21-14)22-10-3-1-2-4-10/h5-10H,1-4H2,(H,21,22)(H,23,24)
InChIKeyQYDSVOCBNHFSKU-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.11
Rot. Bonds4

About 4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 109204356) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
PubChem CID109204356
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc(NC2CCCC2)ccn1
InChIInChI=1S/C17H16F3N3O/c18-12-5-6-13(16(20)15(12)19)23-17(24)14-9-11(7-8-21-14)22-10-3-1-2-4-10/h5-10H,1-4H2,(H,21,22)(H,23,24)
InChIKeyQYDSVOCBNHFSKU-UHFFFAOYSA-N
XLogP4.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109205065
5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109183232
4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109217060
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222592
N-(2-chlorophenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109204995
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109295710
4-(cyclohexylamino)-N-(2,3-dichlorophenyl)pyridine-2-carboxamide
CID 109205054
4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109205057
N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide
CID 109217159
4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109217173
N-(2-bromophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109202038

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (CID 109204356) is 4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1cc(NC2CCCC2)ccn1.
What is the InChIKey of 4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is QYDSVOCBNHFSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-12-5-6-13(16(20)15(12)19)23-17(24)14-9-11(7-8-21-14)22-10-3-1-2-4-10/h5-10H,1-4H2,(H,21,22)(H,23,24).
What are the key properties of 4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109204356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).