5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide

C15H15ClFN3O — CID 62174665

IUPAC5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NC(C)c2cccc(F)c2)cc1Cl
InChIInChI=1S/C15H15ClFN3O/c1-9(10-4-3-5-12(17)6-10)20-15(21)11-7-13(16)14(18-2)19-8-11/h3-9H,1-2H3,(H,18,19)(H,20,21)
InChIKeyFTBHMSGQTPCRDG-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.41
Rot. Bonds4

About 5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide

5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide (PubChem CID 62174665) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
PubChem CID62174665
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NC(C)c2cccc(F)c2)cc1Cl
InChIInChI=1S/C15H15ClFN3O/c1-9(10-4-3-5-12(17)6-10)20-15(21)11-7-13(16)14(18-2)19-8-11/h3-9H,1-2H3,(H,18,19)(H,20,21)
InChIKeyFTBHMSGQTPCRDG-UHFFFAOYSA-N
XLogP3.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 82808709
5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 106218044
N-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide
CID 62237377
5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62176085
5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 62304573
5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040655
5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 107236590
N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62170242
N-[1-(3-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166191150
5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62186092
5-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167429
2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 113255496

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide (CID 62174665) is 5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide is CNc1ncc(C(=O)NC(C)c2cccc(F)c2)cc1Cl.
What is the InChIKey of 5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is FTBHMSGQTPCRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-9(10-4-3-5-12(17)6-10)20-15(21)11-7-13(16)14(18-2)19-8-11/h3-9H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide?
5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 307.76 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62174665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).