N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide

C18H18ClF3N4O — CID 66504126

IUPACN-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCCC2)ncc1C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C18H18ClF3N4O/c1-11-13(10-23-17(24-11)26-7-3-2-4-8-26)16(27)25-12-5-6-14(15(19)9-12)18(20,21)22/h5-6,9-10H,2-4,7-8H2,1H3,(H,25,27)
InChIKeyKGVUSXCKHVDLGE-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.70
Rot. Bonds3

About N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide

N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 66504126) has the molecular formula C18H18ClF3N4O and a molecular weight of 398.82 g/mol. Its IUPAC name is N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID66504126
Molecular FormulaC18H18ClF3N4O
Molecular Weight398.82 g/mol
Exact Mass398.11
IUPAC NameN-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCCC2)ncc1C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C18H18ClF3N4O/c1-11-13(10-23-17(24-11)26-7-3-2-4-8-26)16(27)25-12-5-6-14(15(19)9-12)18(20,21)22/h5-6,9-10H,2-4,7-8H2,1H3,(H,25,27)
InChIKeyKGVUSXCKHVDLGE-UHFFFAOYSA-N
XLogP4.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 54.70
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-hydroxyphenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504155
N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504421
N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 20959576
N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 66504382
4-methyl-2-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 66504153
4-methyl-N-(3-nitrophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 66504375
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 71790110
N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250257
N-(4-chlorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504083
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504338
N-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504094

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 66504126) is N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide is Cc1nc(N2CCCCC2)ncc1C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is KGVUSXCKHVDLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O/c1-11-13(10-23-17(24-11)26-7-3-2-4-8-26)16(27)25-12-5-6-14(15(19)9-12)18(20,21)22/h5-6,9-10H,2-4,7-8H2,1H3,(H,25,27).
What are the key properties of N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 398.82 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 66504126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).