(2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide

C19H21FN4O2 — CID 169176512

IUPAC(2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide
SMILESCC(=O)N1[C@H](C)CC[C@@H]1C(=O)Nc1ccc(C)c(-c2ncc(F)cn2)c1
InChIInChI=1S/C19H21FN4O2/c1-11-4-6-15(8-16(11)18-21-9-14(20)10-22-18)23-19(26)17-7-5-12(2)24(17)13(3)25/h4,6,8-10,12,17H,5,7H2,1-3H3,(H,23,26)/t12-,17-/m1/s1
InChIKeyDRGHWQXKKJKJQQ-SJKOYZFVSA-N
MW356.40 g/mol
LogP2.93
Rot. Bonds3

About (2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide

(2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide (PubChem CID 169176512) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is (2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide
PubChem CID169176512
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name(2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide
SMILESCC(=O)N1[C@H](C)CC[C@@H]1C(=O)Nc1ccc(C)c(-c2ncc(F)cn2)c1
InChIInChI=1S/C19H21FN4O2/c1-11-4-6-15(8-16(11)18-21-9-14(20)10-22-18)23-19(26)17-7-5-12(2)24(17)13(3)25/h4,6,8-10,12,17H,5,7H2,1-3H3,(H,23,26)/t12-,17-/m1/s1
InChIKeyDRGHWQXKKJKJQQ-SJKOYZFVSA-N
XLogP2.93
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-7-methyl-2-pyrimidin-2-yl-2-azabicyclo[4.1.0]heptane-3-carboxamide
CID 169175899
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide
CID 169176102
(1R,2R,4S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 169176479
(2R,4S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-4-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 169176187
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-7-azabicyclo[4.2.0]octane-7-carboxamide
CID 169176474
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide
CID 169176409
(2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 169176226
tert-butyl (1R,3R,5R)-3-[[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 169177049
(1R,3R,5R)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-pyrimidin-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 169176239
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 169175838
(1S,4S,6R)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-2-azabicyclo[2.2.2]octane-2-carboxamide
CID 169176324
(1S,3S,5S)-2-(6-chloro-1,2,4-triazin-3-yl)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 176763888

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide (CID 169176512) is (2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide is CC(=O)N1[C@H](C)CC[C@@H]1C(=O)Nc1ccc(C)c(-c2ncc(F)cn2)c1.
What is the InChIKey of (2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide?
The InChIKey is DRGHWQXKKJKJQQ-SJKOYZFVSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-11-4-6-15(8-16(11)18-21-9-14(20)10-22-18)23-19(26)17-7-5-12(2)24(17)13(3)25/h4,6,8-10,12,17H,5,7H2,1-3H3,(H,23,26)/t12-,17-/m1/s1.
What are the key properties of (2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide?
(2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 169176512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).