N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide

C26H27FN4O2 — CID 132767196

IUPACN-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccccc2)c(C2CCCN2C(=O)CCc2ccccc2F)n1
InChIInChI=1S/C26H27FN4O2/c1-18-28-17-21(26(33)29-16-19-8-3-2-4-9-19)25(30-18)23-12-7-15-31(23)24(32)14-13-20-10-5-6-11-22(20)27/h2-6,8-11,17,23H,7,12-16H2,1H3,(H,29,33)
InChIKeyKRSNPGKFBBEXJH-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.15
Rot. Bonds7

About N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide

N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide (PubChem CID 132767196) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
PubChem CID132767196
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC NameN-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccccc2)c(C2CCCN2C(=O)CCc2ccccc2F)n1
InChIInChI=1S/C26H27FN4O2/c1-18-28-17-21(26(33)29-16-19-8-3-2-4-9-19)25(30-18)23-12-7-15-31(23)24(32)14-13-20-10-5-6-11-22(20)27/h2-6,8-11,17,23H,7,12-16H2,1H3,(H,29,33)
InChIKeyKRSNPGKFBBEXJH-UHFFFAOYSA-N
XLogP4.15
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[3-(4-chlorophenyl)propanoyl]pyrrolidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 155982964
4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide
CID 110085093
N-benzyl-2-[(2R)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637069
N-cyclohexyl-4-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 92640451
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 46421185
N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085118
N-benzyl-2-methyl-4-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
CID 92640601
3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110248286
N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639580
N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639623
4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide
CID 92640580
3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 127246974

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide (CID 132767196) is N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NCc2ccccc2)c(C2CCCN2C(=O)CCc2ccccc2F)n1.
What is the InChIKey of N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is KRSNPGKFBBEXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-18-28-17-21(26(33)29-16-19-8-3-2-4-9-19)25(30-18)23-12-7-15-31(23)24(32)14-13-20-10-5-6-11-22(20)27/h2-6,8-11,17,23H,7,12-16H2,1H3,(H,29,33).
What are the key properties of N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide?
N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 132767196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).