2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide

C18H20Cl2N4O — CID 122352644

IUPAC2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(Cl)cc2Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C18H20Cl2N4O/c1-12-9-14(23-18(22-12)24-7-3-2-4-8-24)11-21-17(25)15-6-5-13(19)10-16(15)20/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,21,25)
InChIKeyLHUCBELRTIGBMW-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.01
Rot. Bonds4

About 2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide

2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide (PubChem CID 122352644) has the molecular formula C18H20Cl2N4O and a molecular weight of 379.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
PubChem CID122352644
Molecular FormulaC18H20Cl2N4O
Molecular Weight379.29 g/mol
Exact Mass378.10
IUPAC Name2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(Cl)cc2Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C18H20Cl2N4O/c1-12-9-14(23-18(22-12)24-7-3-2-4-8-24)11-21-17(25)15-6-5-13(19)10-16(15)20/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,21,25)
InChIKeyLHUCBELRTIGBMW-UHFFFAOYSA-N
XLogP4.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122352933
2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 72718377
2-chloro-4-fluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967484
2-(2-chlorophenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352355
1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 122352808
2,4-dichloro-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 70703179
5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 72718310
2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967359
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122352828
2,4-dimethyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967457
3,3,3-trifluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]propanamide
CID 122352907
2-(4-methoxyphenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 72718286

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide (CID 122352644) is 2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide is Cc1cc(CNC(=O)c2ccc(Cl)cc2Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is LHUCBELRTIGBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O/c1-12-9-14(23-18(22-12)24-7-3-2-4-8-24)11-21-17(25)15-6-5-13(19)10-16(15)20/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,21,25).
What are the key properties of 2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 379.29 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 122352644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).