4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide

C15H14ClFN2O — CID 81226046

IUPAC4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCCc2cccc(F)c2)cn1
InChIInChI=1S/C15H14ClFN2O/c1-10-7-14(16)13(9-19-10)15(20)18-6-5-11-3-2-4-12(17)8-11/h2-4,7-9H,5-6H2,1H3,(H,18,20)
InChIKeyPDHSHMNJUKTWON-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.16
Rot. Bonds4

About 4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide

4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 81226046) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide
PubChem CID81226046
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCCc2cccc(F)c2)cn1
InChIInChI=1S/C15H14ClFN2O/c1-10-7-14(16)13(9-19-10)15(20)18-6-5-11-3-2-4-12(17)8-11/h2-4,7-9H,5-6H2,1H3,(H,18,20)
InChIKeyPDHSHMNJUKTWON-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225265
5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 43400487
2-amino-3-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115540075
2-(3,4-dichlorophenyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 9051916
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide
CID 78812511
4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81227233
3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115930156
N-[(3-fluorophenyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236117
N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 9182422
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 81226552

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide (CID 81226046) is 4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NCCc2cccc(F)c2)cn1.
What is the InChIKey of 4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is PDHSHMNJUKTWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-10-7-14(16)13(9-19-10)15(20)18-6-5-11-3-2-4-12(17)8-11/h2-4,7-9H,5-6H2,1H3,(H,18,20).
What are the key properties of 4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide?
4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 292.74 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81226046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).