(3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide

C18H20N4O2 — CID 128984238

IUPAC(3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1
InChIInChI=1S/C18H20N4O2/c1-11-9-22(10-15(11)16(19)23)18(24)14-8-20-17(21-12(14)2)13-6-4-3-5-7-13/h3-8,11,15H,9-10H2,1-2H3,(H2,19,23)/t11-,15-/m1/s1
InChIKeyDFFFRZOQJQOFRK-IAQYHMDHSA-N
MW324.38 g/mol
LogP1.65
Rot. Bonds3

About (3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide

(3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 128984238) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide
PubChem CID128984238
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1
InChIInChI=1S/C18H20N4O2/c1-11-9-22(10-15(11)16(19)23)18(24)14-8-20-17(21-12(14)2)13-6-4-3-5-7-13/h3-8,11,15H,9-10H2,1-2H3,(H2,19,23)/t11-,15-/m1/s1
InChIKeyDFFFRZOQJQOFRK-IAQYHMDHSA-N
XLogP1.65
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 119062800
5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one
CID 70777651
(3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 128984202
(4-benzhydrylpiperazin-1-yl)-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 100753052
(2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 56707392
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 99635559
[(1S,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 133126077
(4-methyl-2-phenylpyrimidin-5-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 119070432
(3S,4S)-1-(2,6-dimethylpyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 98537065
(3-carbamoyl-2,3-dihydroindol-1-yl) 4-methyl-2-phenylpyrimidine-5-carboxylate
CID 91549222
1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
CID 136567066

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide (CID 128984238) is (3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide is Cc1nc(-c2ccccc2)ncc1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1.
What is the InChIKey of (3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is DFFFRZOQJQOFRK-IAQYHMDHSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-9-22(10-15(11)16(19)23)18(24)14-8-20-17(21-12(14)2)13-6-4-3-5-7-13/h3-8,11,15H,9-10H2,1-2H3,(H2,19,23)/t11-,15-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide?
(3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 128984238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).