1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea

C21H26N4O2 — CID 11257107

IUPAC1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
SMILESCCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C(=O)c2ccc(C)nc2)C1
InChIInChI=1S/C21H26N4O2/c1-3-24(14-17-7-5-4-6-8-17)21(27)23-19-11-12-25(15-19)20(26)18-10-9-16(2)22-13-18/h4-10,13,19H,3,11-12,14-15H2,1-2H3,(H,23,27)/t19-/m1/s1
InChIKeyXRGAPUKRWFLGQE-LJQANCHMSA-N
MW366.47 g/mol
LogP2.84
Rot. Bonds5

About 1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea

1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea (PubChem CID 11257107) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
PubChem CID11257107
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
SMILESCCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C(=O)c2ccc(C)nc2)C1
InChIInChI=1S/C21H26N4O2/c1-3-24(14-17-7-5-4-6-8-17)21(27)23-19-11-12-25(15-19)20(26)18-10-9-16(2)22-13-18/h4-10,13,19H,3,11-12,14-15H2,1-2H3,(H,23,27)/t19-/m1/s1
InChIKeyXRGAPUKRWFLGQE-LJQANCHMSA-N
XLogP2.84
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 72979848
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
1-(2-cyanoethyl)-1-cyclopropyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 11772213
ethyl 2-[4-[[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]carbamoyl]piperazin-1-yl]acetate
CID 11177145
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide
CID 154456800
1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 11175263
N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide
CID 176505536
(2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
CID 124944737
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea (CID 11257107) is 1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea is CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C(=O)c2ccc(C)nc2)C1.
What is the InChIKey of 1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea?
The InChIKey is XRGAPUKRWFLGQE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-24(14-17-7-5-4-6-8-17)21(27)23-19-11-12-25(15-19)20(26)18-10-9-16(2)22-13-18/h4-10,13,19H,3,11-12,14-15H2,1-2H3,(H,23,27)/t19-/m1/s1.
What are the key properties of 1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea?
1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea has a molecular weight of 366.47 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 11257107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).