2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride

C20H25Cl2FN4O — CID 142780032

IUPAC2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride
SMILESCCN1CCC(CNc2cccc(NC(=O)c3ccc(F)cc3Cl)n2)CC1.Cl
InChIInChI=1S/C20H24ClFN4O.ClH/c1-2-26-10-8-14(9-11-26)13-23-18-4-3-5-19(24-18)25-20(27)16-7-6-15(22)12-17(16)21;/h3-7,12,14H,2,8-11,13H2,1H3,(H2,23,24,25,27);1H
InChIKeyKQQNTVZCMFCKIK-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.69
Rot. Bonds6

About 2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride

2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride (PubChem CID 142780032) has the molecular formula C20H25Cl2FN4O and a molecular weight of 427.35 g/mol. Its IUPAC name is 2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride
PubChem CID142780032
Molecular FormulaC20H25Cl2FN4O
Molecular Weight427.35 g/mol
Exact Mass426.14
IUPAC Name2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride
SMILESCCN1CCC(CNc2cccc(NC(=O)c3ccc(F)cc3Cl)n2)CC1.Cl
InChIInChI=1S/C20H24ClFN4O.ClH/c1-2-26-10-8-14(9-11-26)13-23-18-4-3-5-19(24-18)25-20(27)16-7-6-15(22)12-17(16)21;/h3-7,12,14H,2,8-11,13H2,1H3,(H2,23,24,25,27);1H
InChIKeyKQQNTVZCMFCKIK-UHFFFAOYSA-N
XLogP4.69
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride with MolForge

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Related Compounds

N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide
CID 163786051
2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride
CID 69063392
N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide
CID 58997299
2-chloro-4-fluoro-N-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]benzamide;hydrochloride
CID 66938809
tert-butyl (2S,4S)-4-[[3-[(2-chloro-4-fluorobenzoyl)amino]phenyl]methyl]-2-methylpiperidine-1-carboxylate
CID 58138727
tert-butyl 4-[[6-[(4-chloro-2-fluorobenzoyl)amino]-2-pyridinyl]methyl]piperidine-1-carboxylate
CID 156741888
CID 70639140
CID 70639140
(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55173736
2,4-difluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydrochloride
CID 69074371
2-chloro-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 2591172
2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide
CID 119104046
2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 62375945

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of 2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride (CID 142780032) is 2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride is CCN1CCC(CNc2cccc(NC(=O)c3ccc(F)cc3Cl)n2)CC1.Cl.
What is the InChIKey of 2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride?
The InChIKey is KQQNTVZCMFCKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O.ClH/c1-2-26-10-8-14(9-11-26)13-23-18-4-3-5-19(24-18)25-20(27)16-7-6-15(22)12-17(16)21;/h3-7,12,14H,2,8-11,13H2,1H3,(H2,23,24,25,27);1H.
What are the key properties of 2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride?
2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride has a molecular weight of 427.35 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 142780032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).