1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea

C17H28N4O2 — CID 110028376

IUPAC1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea
SMILESCCCN(CCO)C(=O)NCc1ccc(C)nc1N1CCCC1
InChIInChI=1S/C17H28N4O2/c1-3-8-21(11-12-22)17(23)18-13-15-7-6-14(2)19-16(15)20-9-4-5-10-20/h6-7,22H,3-5,8-13H2,1-2H3,(H,18,23)
InChIKeyGCWGKYBMAYJNEI-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.90
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea

1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea (PubChem CID 110028376) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea
PubChem CID110028376
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea
SMILESCCCN(CCO)C(=O)NCc1ccc(C)nc1N1CCCC1
InChIInChI=1S/C17H28N4O2/c1-3-8-21(11-12-22)17(23)18-13-15-7-6-14(2)19-16(15)20-9-4-5-10-20/h6-7,22H,3-5,8-13H2,1-2H3,(H,18,23)
InChIKeyGCWGKYBMAYJNEI-UHFFFAOYSA-N
XLogP1.90
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxypropyl)-1-methyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 84599317
2-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 110028330
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110028346
1-methyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-[(3S)-thiolan-3-yl]urea
CID 97348072
1-(3-ethyl-2-hydroxypentyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110028347
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110028362
1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 86786119
1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 100661667
3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 110028358
2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 86786371
(3aS,6aS)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole-5-carboxamide
CID 126797585
5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096018

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea (CID 110028376) is 1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea is CCCN(CCO)C(=O)NCc1ccc(C)nc1N1CCCC1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea?
The InChIKey is GCWGKYBMAYJNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-8-21(11-12-22)17(23)18-13-15-7-6-14(2)19-16(15)20-9-4-5-10-20/h6-7,22H,3-5,8-13H2,1-2H3,(H,18,23).
What are the key properties of 1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea?
1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea has a molecular weight of 320.44 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea is sourced from PubChem (CID 110028376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).