(2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide

C16H18N4O3 — CID 128983700

IUPAC(2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C16H18N4O3/c1-23-13-8-14(15(17)21)20(9-13)16(22)11-2-4-12(5-3-11)19-7-6-18-10-19/h2-7,10,13-14H,8-9H2,1H3,(H2,17,21)/t13-,14-/m0/s1
InChIKeyGAERXPWYAIWAJT-KBPBESRZSA-N
MW314.34 g/mol
LogP0.59
Rot. Bonds4

About (2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 128983700) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID128983700
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name(2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C16H18N4O3/c1-23-13-8-14(15(17)21)20(9-13)16(22)11-2-4-12(5-3-11)19-7-6-18-10-19/h2-7,10,13-14H,8-9H2,1H3,(H2,17,21)/t13-,14-/m0/s1
InChIKeyGAERXPWYAIWAJT-KBPBESRZSA-N
XLogP0.59
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-4-methoxy-1-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]pyrrolidine-2-carboxamide
CID 128983730
(2S,4S)-4-amino-N-ethyl-1-(4-imidazol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 56719002
(2S,4S)-1-(5-bromopyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983596
(2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide
CID 122132866
(2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 128984241
(2S,4S)-1-(3-bromo-4-fluorobenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128984131
(2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983612
1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
CID 69161890
(2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983763
(2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983796
(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 47159866
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone
CID 72696904

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide (CID 128983700) is (2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(-n3ccnc3)cc2)C1.
What is the InChIKey of (2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is GAERXPWYAIWAJT-KBPBESRZSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-23-13-8-14(15(17)21)20(9-13)16(22)11-2-4-12(5-3-11)19-7-6-18-10-19/h2-7,10,13-14H,8-9H2,1H3,(H2,17,21)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 128983700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).