1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea

C16H26N4O — CID 119059632

IUPAC1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea
SMILESCCN(Cc1ccncc1)C(=O)NCCC1CCCN1C
InChIInChI=1S/C16H26N4O/c1-3-20(13-14-6-9-17-10-7-14)16(21)18-11-8-15-5-4-12-19(15)2/h6-7,9-10,15H,3-5,8,11-13H2,1-2H3,(H,18,21)
InChIKeyYUNPPFJPSNXQDY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.10
Rot. Bonds6

About 1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea

1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea (PubChem CID 119059632) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea
PubChem CID119059632
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea
SMILESCCN(Cc1ccncc1)C(=O)NCCC1CCCN1C
InChIInChI=1S/C16H26N4O/c1-3-20(13-14-6-9-17-10-7-14)16(21)18-11-8-15-5-4-12-19(15)2/h6-7,9-10,15H,3-5,8,11-13H2,1-2H3,(H,18,21)
InChIKeyYUNPPFJPSNXQDY-UHFFFAOYSA-N
XLogP2.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethoxyphenyl)methyl]-1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea
CID 119061084
3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazo[4,5-b]pyridine-7-carboxamide
CID 155952965
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449
(2S)-1-[ethyl(pyridin-4-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61449819
2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 60684733
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
5-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686367
(2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 52514055
1-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 146086260
1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea
CID 70023388
1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea
CID 126441274
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(2-pyridin-4-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166614160

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea (CID 119059632) is 1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea is CCN(Cc1ccncc1)C(=O)NCCC1CCCN1C.
What is the InChIKey of 1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea?
The InChIKey is YUNPPFJPSNXQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-20(13-14-6-9-17-10-7-14)16(21)18-11-8-15-5-4-12-19(15)2/h6-7,9-10,15H,3-5,8,11-13H2,1-2H3,(H,18,21).
What are the key properties of 1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea?
1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea has a molecular weight of 290.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 119059632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).