2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide

C14H13ClFN3O — CID 62152506

IUPAC2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCc2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C14H13ClFN3O/c15-12-7-10(8-13(17)19-12)14(20)18-6-5-9-1-3-11(16)4-2-9/h1-4,7-8H,5-6H2,(H2,17,19)(H,18,20)
InChIKeyCOVVNOLCMGTTSP-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.43
Rot. Bonds4

About 2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide

2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 62152506) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID62152506
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCc2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C14H13ClFN3O/c15-12-7-10(8-13(17)19-12)14(20)18-6-5-9-1-3-11(16)4-2-9/h1-4,7-8H,5-6H2,(H2,17,19)(H,18,20)
InChIKeyCOVVNOLCMGTTSP-UHFFFAOYSA-N
XLogP2.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 55041746
2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
CID 61237115
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2357999
2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide
CID 63373106
2-amino-6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104694768
2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 62161577
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide
CID 103099339
2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 115631265
2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
CID 62156055
2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide
CID 115605591

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide (CID 62152506) is 2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide is Nc1cc(C(=O)NCCc2ccc(F)cc2)cc(Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is COVVNOLCMGTTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c15-12-7-10(8-13(17)19-12)14(20)18-6-5-9-1-3-11(16)4-2-9/h1-4,7-8H,5-6H2,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 293.73 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 62152506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).