N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C18H21FN4O2 — CID 97144404

IUPACN-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)c(=O)[nH]1
InChIInChI=1S/C18H21FN4O2/c1-12-20-10-15(18(25)22-12)17(24)21-11-16(23-8-2-3-9-23)13-4-6-14(19)7-5-13/h4-7,10,16H,2-3,8-9,11H2,1H3,(H,21,24)(H,20,22,25)/t16-/m0/s1
InChIKeyBAIGYFKHLNWGQI-INIZCTEOSA-N
MW344.39 g/mol
LogP1.78
Rot. Bonds5

About N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 97144404) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID97144404
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)c(=O)[nH]1
InChIInChI=1S/C18H21FN4O2/c1-12-20-10-15(18(25)22-12)17(24)21-11-16(23-8-2-3-9-23)13-4-6-14(19)7-5-13/h4-7,10,16H,2-3,8-9,11H2,1H3,(H,21,24)(H,20,22,25)/t16-/m0/s1
InChIKeyBAIGYFKHLNWGQI-INIZCTEOSA-N
XLogP1.78
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)-1H-pyrimidine-5-carboxamide
CID 77093282
2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide
CID 99946846
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 72879927
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyridine-4-carboxamide
CID 118794898
2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72907580
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 125177894
6-amino-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 91834380
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 118782996
1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide
CID 125169507

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 97144404) is N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)c(=O)[nH]1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is BAIGYFKHLNWGQI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-12-20-10-15(18(25)22-12)17(24)21-11-16(23-8-2-3-9-23)13-4-6-14(19)7-5-13/h4-7,10,16H,2-3,8-9,11H2,1H3,(H,21,24)(H,20,22,25)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97144404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).