3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide

C19H15ClFN3O2 — CID 166208107

IUPAC3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide
SMILESCC(NC(=O)c1ncc(C(N)=O)cc1Cl)c1ccc(F)c2ccccc12
InChIInChI=1S/C19H15ClFN3O2/c1-10(12-6-7-16(21)14-5-3-2-4-13(12)14)24-19(26)17-15(20)8-11(9-23-17)18(22)25/h2-10H,1H3,(H2,22,25)(H,24,26)
InChIKeyHXXUPPGNYIDCFA-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.62
Rot. Bonds4

About 3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide

3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide (PubChem CID 166208107) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide
PubChem CID166208107
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide
SMILESCC(NC(=O)c1ncc(C(N)=O)cc1Cl)c1ccc(F)c2ccccc12
InChIInChI=1S/C19H15ClFN3O2/c1-10(12-6-7-16(21)14-5-3-2-4-13(12)14)24-19(26)17-15(20)8-11(9-23-17)18(22)25/h2-10H,1H3,(H2,22,25)(H,24,26)
InChIKeyHXXUPPGNYIDCFA-UHFFFAOYSA-N
XLogP3.62
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluoronaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 167830300
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
CID 82812874
5-chloro-N-[1-(2-chlorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62247507
5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 7936550
6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide
CID 112722842
3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 59038441
N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 17459377
5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62176085
methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate
CID 32912046
N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55758083
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 43101350

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide (CID 166208107) is 3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide is CC(NC(=O)c1ncc(C(N)=O)cc1Cl)c1ccc(F)c2ccccc12.
What is the InChIKey of 3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide?
The InChIKey is HXXUPPGNYIDCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-10(12-6-7-16(21)14-5-3-2-4-13(12)14)24-19(26)17-15(20)8-11(9-23-17)18(22)25/h2-10H,1H3,(H2,22,25)(H,24,26).
What are the key properties of 3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide?
3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide has a molecular weight of 371.80 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-[1-(4-fluoronaphthalen-1-yl)ethyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 166208107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).