N-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide

C18H20F2N4O — CID 66504094

IUPACN-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCC(C)CC2)ncc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H20F2N4O/c1-11-5-7-24(8-6-11)18-21-10-14(12(2)22-18)17(25)23-13-3-4-15(19)16(20)9-13/h3-4,9-11H,5-8H2,1-2H3,(H,23,25)
InChIKeyQTIKDKDXUGGFRU-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.55
Rot. Bonds3

About N-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide

N-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 66504094) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID66504094
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC NameN-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCC(C)CC2)ncc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H20F2N4O/c1-11-5-7-24(8-6-11)18-21-10-14(12(2)22-18)17(25)23-13-3-4-15(19)16(20)9-13/h3-4,9-11H,5-8H2,1-2H3,(H,23,25)
InChIKeyQTIKDKDXUGGFRU-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)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 50795519
N-(4-chlorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504083
N-(4-hydroxyphenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504118
N-(3,5-dichlorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504114
N-(3,4-difluorophenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323095
N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504421
4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 66505240
N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 20959576
N-(4-hydroxyphenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504155
N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 66504382
N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987647

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 66504094) is N-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide is Cc1nc(N2CCC(C)CC2)ncc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is QTIKDKDXUGGFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-11-5-7-24(8-6-11)18-21-10-14(12(2)22-18)17(25)23-13-3-4-15(19)16(20)9-13/h3-4,9-11H,5-8H2,1-2H3,(H,23,25).
What are the key properties of N-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
N-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-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)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 66504094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).