N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane

C21H19ClF3N3O — CID 168930044

IUPACN-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane
SMILESCC(C)(F)c1cc(C(=O)Nc2cc(-c3ccnc(Cl)c3)ccc2F)ccn1.CF
InChIInChI=1S/C20H16ClF2N3O.CH3F/c1-20(2,23)17-10-14(6-7-24-17)19(27)26-16-9-12(3-4-15(16)22)13-5-8-25-18(21)11-13;1-2/h3-11H,1-2H3,(H,26,27);1H3
InChIKeyVESKQEFNROMUAD-UHFFFAOYSA-N
MW421.85 g/mol
LogP5.98
Rot. Bonds4

About N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane

N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane (PubChem CID 168930044) has the molecular formula C21H19ClF3N3O and a molecular weight of 421.85 g/mol. Its IUPAC name is N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane.

Molecular Properties

Compound NameN-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane
PubChem CID168930044
Molecular FormulaC21H19ClF3N3O
Molecular Weight421.85 g/mol
Exact Mass421.12
IUPAC NameN-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane
SMILESCC(C)(F)c1cc(C(=O)Nc2cc(-c3ccnc(Cl)c3)ccc2F)ccn1.CF
InChIInChI=1S/C20H16ClF2N3O.CH3F/c1-20(2,23)17-10-14(6-7-24-17)19(27)26-16-9-12(3-4-15(16)22)13-5-8-25-18(21)11-13;1-2/h3-11H,1-2H3,(H,26,27);1H3
InChIKeyVESKQEFNROMUAD-UHFFFAOYSA-N
XLogP5.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.85
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane with MolForge

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Related Compounds

N-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024699
4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid
CID 103871818
N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024633
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide
CID 2800686
N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024637
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 114325635
N-(4-bromo-2,6-difluorophenyl)-2-chloropyridine-4-carboxamide
CID 65469908
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
2,6-dichloro-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 43384924
2-chloro-N-(2-phenylphenyl)pyridine-4-carboxamide
CID 30888506
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 103752711
2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide
CID 61040669

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane?
The IUPAC name of N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane (CID 168930044) is N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane.
What is the SMILES notation for N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane?
The canonical SMILES for N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane is CC(C)(F)c1cc(C(=O)Nc2cc(-c3ccnc(Cl)c3)ccc2F)ccn1.CF.
What is the InChIKey of N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane?
The InChIKey is VESKQEFNROMUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O.CH3F/c1-20(2,23)17-10-14(6-7-24-17)19(27)26-16-9-12(3-4-15(16)22)13-5-8-25-18(21)11-13;1-2/h3-11H,1-2H3,(H,26,27);1H3.
What are the key properties of N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane?
N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane has a molecular weight of 421.85 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane is sourced from PubChem (CID 168930044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).