3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide

C19H21ClFN3O — CID 175281836

IUPAC3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide
SMILESCN1CCC(Cc2cccc(NC(=O)c3cccc(Cl)c3F)n2)CC1
InChIInChI=1S/C19H21ClFN3O/c1-24-10-8-13(9-11-24)12-14-4-2-7-17(22-14)23-19(25)15-5-3-6-16(20)18(15)21/h2-7,13H,8-12H2,1H3,(H,22,23,25)
InChIKeyMWLFUDXXJQYYLL-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.01
Rot. Bonds4

About 3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide

3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide (PubChem CID 175281836) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide
PubChem CID175281836
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide
SMILESCN1CCC(Cc2cccc(NC(=O)c3cccc(Cl)c3F)n2)CC1
InChIInChI=1S/C19H21ClFN3O/c1-24-10-8-13(9-11-24)12-14-4-2-7-17(22-14)23-19(25)15-5-3-6-16(20)18(15)21/h2-7,13H,8-12H2,1H3,(H,22,23,25)
InChIKeyMWLFUDXXJQYYLL-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[6-[(4-chloro-2-fluorobenzoyl)amino]-2-pyridinyl]methyl]piperidine-1-carboxylate
CID 156741888
2-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-1-(2,3,4-trifluorophenyl)ethanone
CID 58138728
2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide
CID 58997284
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-chloro-2-fluorobenzamide
CID 81267639
2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride
CID 69063392
(3-chloro-2-fluorophenyl)-[4-[[2-ethoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 110098634
N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
CID 59789355
6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81267592
formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
CID 155570632
2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride
CID 142780032
3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide
CID 114050036
5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
CID 142816904

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide (CID 175281836) is 3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide is CN1CCC(Cc2cccc(NC(=O)c3cccc(Cl)c3F)n2)CC1.
What is the InChIKey of 3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide?
The InChIKey is MWLFUDXXJQYYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c1-24-10-8-13(9-11-24)12-14-4-2-7-17(22-14)23-19(25)15-5-3-6-16(20)18(15)21/h2-7,13H,8-12H2,1H3,(H,22,23,25).
What are the key properties of 3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide?
3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide has a molecular weight of 361.85 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 175281836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).