2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide

C19H21ClFN3O — CID 124758694

IUPAC2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
SMILESCc1ccc(F)c(C(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)c1Cl
InChIInChI=1S/C19H21ClFN3O/c1-13-6-7-16(21)17(18(13)20)19(25)23-15-5-3-9-24(12-15)11-14-4-2-8-22-10-14/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyZKUSRWCFSCJAFQ-OAHLLOKOSA-N
MW361.85 g/mol
LogP3.58
Rot. Bonds4

About 2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide

2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide (PubChem CID 124758694) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
PubChem CID124758694
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
SMILESCc1ccc(F)c(C(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)c1Cl
InChIInChI=1S/C19H21ClFN3O/c1-13-6-7-16(21)17(18(13)20)19(25)23-15-5-3-9-24(12-15)11-14-4-2-8-22-10-14/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyZKUSRWCFSCJAFQ-OAHLLOKOSA-N
XLogP3.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide
CID 91778553
1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900155
1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125173875
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680
2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124749391
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 125441300
6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 124855297
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 125165036
2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 118778594
4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
CID 91788256
2-(5-amino-3-methylpyrazol-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124753575
1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide
CID 97133366

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide (CID 124758694) is 2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide is Cc1ccc(F)c(C(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)c1Cl.
What is the InChIKey of 2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide?
The InChIKey is ZKUSRWCFSCJAFQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c1-13-6-7-16(21)17(18(13)20)19(25)23-15-5-3-9-24(12-15)11-14-4-2-8-22-10-14/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of 2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide?
2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide has a molecular weight of 361.85 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 124758694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).