N-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

C22H25N3O2 — CID 70704487

IUPACN-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc([C@@H]2CN(C(=O)c3cccc(C)n3)C[C@H]2NC(=O)C2CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-14-6-8-16(9-7-14)18-12-25(13-20(18)24-21(26)17-10-11-17)22(27)19-5-3-4-15(2)23-19/h3-9,17-18,20H,10-13H2,1-2H3,(H,24,26)/t18-,20+/m0/s1
InChIKeyDSDCIVMORGJXOU-AZUAARDMSA-N
MW363.46 g/mol
LogP2.83
Rot. Bonds4

About N-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

N-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 70704487) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID70704487
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc([C@@H]2CN(C(=O)c3cccc(C)n3)C[C@H]2NC(=O)C2CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-14-6-8-16(9-7-14)18-12-25(13-20(18)24-21(26)17-10-11-17)22(27)19-5-3-4-15(2)23-19/h3-9,17-18,20H,10-13H2,1-2H3,(H,24,26)/t18-,20+/m0/s1
InChIKeyDSDCIVMORGJXOU-AZUAARDMSA-N
XLogP2.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R)-4-(4-methylphenyl)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70732368
N-[(3S,4R)-4-(4-methylphenyl)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70751647
N-[(3S,4R)-4-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70783659
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 120746588
(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63754551
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 156604067
N-[(3S,4R)-1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70718143
cyclopropyl-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]methanone
CID 32890940
(6-methyl-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 127380279
N-[(3S,4R)-4-(4-methylphenyl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide
CID 70722373
N-[(3S,4R)-1-[(2-amino-3-pyridinyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70735174
N-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70768592

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 70704487) is N-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is Cc1ccc([C@@H]2CN(C(=O)c3cccc(C)n3)C[C@H]2NC(=O)C2CC2)cc1.
What is the InChIKey of N-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is DSDCIVMORGJXOU-AZUAARDMSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-6-8-16(9-7-14)18-12-25(13-20(18)24-21(26)17-10-11-17)22(27)19-5-3-4-15(2)23-19/h3-9,17-18,20H,10-13H2,1-2H3,(H,24,26)/t18-,20+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 70704487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).