N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C18H20F2N4O — CID 109334018

IUPACN-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(F)c2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C18H20F2N4O/c1-11-4-3-7-24(10-11)18-21-12(2)8-16(23-18)17(25)22-13-5-6-14(19)15(20)9-13/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,22,25)
InChIKeyVZNICBFXMOSOTR-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.55
Rot. Bonds3

About N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109334018) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109334018
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC NameN-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(F)c2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C18H20F2N4O/c1-11-4-3-7-24(10-11)18-21-12(2)8-16(23-18)17(25)22-13-5-6-14(19)15(20)9-13/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,22,25)
InChIKeyVZNICBFXMOSOTR-UHFFFAOYSA-N
XLogP3.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323095
N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109333957
6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109333992
N-(2,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334001
N-(3,4-difluorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325855
N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196527
6-methyl-2-(3-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319530
N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355141
N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321642
6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109330253
N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334012
N-(2-methoxy-5-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109333973

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109334018) is N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(F)c(F)c2)nc(N2CCCC(C)C2)n1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is VZNICBFXMOSOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-11-4-3-7-24(10-11)18-21-12(2)8-16(23-18)17(25)22-13-5-6-14(19)15(20)9-13/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,22,25).
What are the key properties of N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109334018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).