1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea

C17H22N6O2 — CID 11175263

IUPAC1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
SMILESCc1ccc(C(=O)N2CC[C@@H](NC(=O)NCCC3=NCN=C3)C2)cn1
InChIInChI=1S/C17H22N6O2/c1-12-2-3-13(8-20-12)16(24)23-7-5-15(10-23)22-17(25)19-6-4-14-9-18-11-21-14/h2-3,8-9,15H,4-7,10-11H2,1H3,(H2,19,22,25)/t15-/m1/s1
InChIKeyJOQHXQYDCWNJAC-OAHLLOKOSA-N
MW342.40 g/mol
LogP0.78
Rot. Bonds5

About 1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea

1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea (PubChem CID 11175263) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
PubChem CID11175263
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
SMILESCc1ccc(C(=O)N2CC[C@@H](NC(=O)NCCC3=NCN=C3)C2)cn1
InChIInChI=1S/C17H22N6O2/c1-12-2-3-13(8-20-12)16(24)23-7-5-15(10-23)22-17(25)19-6-4-14-9-18-11-21-14/h2-3,8-9,15H,4-7,10-11H2,1H3,(H2,19,22,25)/t15-/m1/s1
InChIKeyJOQHXQYDCWNJAC-OAHLLOKOSA-N
XLogP0.78
TPSA99.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea with MolForge

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 72979848
ethyl 2-[4-[[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]carbamoyl]piperazin-1-yl]acetate
CID 11177145
1-(2-cyanoethyl)-1-cyclopropyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 11772213
1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 11257107
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
1-[(4-methoxyphenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]urea
CID 166834877
1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide
CID 154456800
1-(2-cyclobutylethyl)-3-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]urea
CID 97227388
[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 24791780
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
N-cyclopropyl-2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 43045355

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea (CID 11175263) is 1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea is Cc1ccc(C(=O)N2CC[C@@H](NC(=O)NCCC3=NCN=C3)C2)cn1.
What is the InChIKey of 1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea?
The InChIKey is JOQHXQYDCWNJAC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12-2-3-13(8-20-12)16(24)23-7-5-15(10-23)22-17(25)19-6-4-14-9-18-11-21-14/h2-3,8-9,15H,4-7,10-11H2,1H3,(H2,19,22,25)/t15-/m1/s1.
What are the key properties of 1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea?
1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea has a molecular weight of 342.40 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 11175263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).