3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide

C18H19Cl2N3O — CID 113024830

IUPAC3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)nc2)CC1
InChIInChI=1S/C18H19Cl2N3O/c1-12-6-8-23(9-7-12)14-3-5-17(21-11-14)22-18(24)13-2-4-15(19)16(20)10-13/h2-5,10-12H,6-9H2,1H3,(H,21,22,24)
InChIKeyDHYMOBAYDOLHDL-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.88
Rot. Bonds3

About 3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide

3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide (PubChem CID 113024830) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide
PubChem CID113024830
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Name3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)nc2)CC1
InChIInChI=1S/C18H19Cl2N3O/c1-12-6-8-23(9-7-12)14-3-5-17(21-11-14)22-18(24)13-2-4-15(19)16(20)10-13/h2-5,10-12H,6-9H2,1H3,(H,21,22,24)
InChIKeyDHYMOBAYDOLHDL-UHFFFAOYSA-N
XLogP4.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091
2-amino-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 39180437
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187652
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
N-(2-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183519
4-amino-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]butanamide
CID 82034911
4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
2-(4-bromophenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 113024871
N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183526
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183554
2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide
CID 33447939

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide (CID 113024830) is 3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide is CC1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)nc2)CC1.
What is the InChIKey of 3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide?
The InChIKey is DHYMOBAYDOLHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c1-12-6-8-23(9-7-12)14-3-5-17(21-11-14)22-18(24)13-2-4-15(19)16(20)10-13/h2-5,10-12H,6-9H2,1H3,(H,21,22,24).
What are the key properties of 3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide?
3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide has a molecular weight of 364.28 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 113024830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).