4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide

C26H29FN4O — CID 59421207

IUPAC4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCCC2)nc(-c2ccccc2F)c1C(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C26H29FN4O/c1-18(2)31(20-12-6-4-7-13-20)25(32)23-19(3)28-26(30-16-10-5-11-17-30)29-24(23)21-14-8-9-15-22(21)27/h4,6-9,12-15,18H,5,10-11,16-17H2,1-3H3
InChIKeyXJEGJDPXSFHBTF-UHFFFAOYSA-N
MW432.54 g/mol
LogP5.64
Rot. Bonds5

About 4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide

4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 59421207) has the molecular formula C26H29FN4O and a molecular weight of 432.54 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID59421207
Molecular FormulaC26H29FN4O
Molecular Weight432.54 g/mol
Exact Mass432.23
IUPAC Name4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCCC2)nc(-c2ccccc2F)c1C(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C26H29FN4O/c1-18(2)31(20-12-6-4-7-13-20)25(32)23-19(3)28-26(30-16-10-5-11-17-30)29-24(23)21-14-8-9-15-22(21)27/h4,6-9,12-15,18H,5,10-11,16-17H2,1-3H3
InChIKeyXJEGJDPXSFHBTF-UHFFFAOYSA-N
XLogP5.64
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide
CID 59421277
N-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 59410501
5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 87037741
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
CID 158955561
N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
CID 59421141
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide
CID 71807245
cyclopropyl-[4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1,4-diazepan-1-yl]methanone
CID 155944743
2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330747
2-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 62096386
methyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate
CID 66956368
3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805656
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7444334

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide (CID 59421207) is 4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide is Cc1nc(N2CCCCC2)nc(-c2ccccc2F)c1C(=O)N(c1ccccc1)C(C)C.
What is the InChIKey of 4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is XJEGJDPXSFHBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O/c1-18(2)31(20-12-6-4-7-13-20)25(32)23-19(3)28-26(30-16-10-5-11-17-30)29-24(23)21-14-8-9-15-22(21)27/h4,6-9,12-15,18H,5,10-11,16-17H2,1-3H3.
What are the key properties of 4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide?
4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59421207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).