1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea

C18H28N4O4 — CID 72979848

IUPAC1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
SMILESCOCCN(CCOC)C(=O)NC1CCN(C(=O)c2ccc(C)nc2)C1
InChIInChI=1S/C18H28N4O4/c1-14-4-5-15(12-19-14)17(23)22-7-6-16(13-22)20-18(24)21(8-10-25-2)9-11-26-3/h4-5,12,16H,6-11,13H2,1-3H3,(H,20,24)
InChIKeyFFTCUVXZCIVWQU-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.91
Rot. Bonds8

About 1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea

1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea (PubChem CID 72979848) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
PubChem CID72979848
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
SMILESCOCCN(CCOC)C(=O)NC1CCN(C(=O)c2ccc(C)nc2)C1
InChIInChI=1S/C18H28N4O4/c1-14-4-5-15(12-19-14)17(23)22-7-6-16(13-22)20-18(24)21(8-10-25-2)9-11-26-3/h4-5,12,16H,6-11,13H2,1-3H3,(H,20,24)
InChIKeyFFTCUVXZCIVWQU-UHFFFAOYSA-N
XLogP0.91
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 11257107
[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
3-[(3R)-1-(2-chloro-6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-1-(2-methoxyethyl)-1-propan-2-ylurea
CID 11485879
1-[2-(2H-imidazol-4-yl)ethyl]-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 11175263
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
1,1-dibutyl-3-[1-(2-chloro-6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 72980192
1,1-dibutyl-3-[(3R)-1-(2-chloro-6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 11486254
1-[(4-methoxyphenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]urea
CID 166834877

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea (CID 72979848) is 1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea is COCCN(CCOC)C(=O)NC1CCN(C(=O)c2ccc(C)nc2)C1.
What is the InChIKey of 1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea?
The InChIKey is FFTCUVXZCIVWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-14-4-5-15(12-19-14)17(23)22-7-6-16(13-22)20-18(24)21(8-10-25-2)9-11-26-3/h4-5,12,16H,6-11,13H2,1-3H3,(H,20,24).
What are the key properties of 1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea?
1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea has a molecular weight of 364.45 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 72979848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).