1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

C13H20N4O2 — CID 47221133

IUPAC1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCC(CO)NC(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C13H20N4O2/c1-10(9-18)15-13(19)16-11-4-5-12(14-8-11)17-6-2-3-7-17/h4-5,8,10,18H,2-3,6-7,9H2,1H3,(H2,15,16,19)
InChIKeyJJOHVRPVVZVFSC-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.18
Rot. Bonds4

About 1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 47221133) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID47221133
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCC(CO)NC(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C13H20N4O2/c1-10(9-18)15-13(19)16-11-4-5-12(14-8-11)17-6-2-3-7-17/h4-5,8,10,18H,2-3,6-7,9H2,1H3,(H2,15,16,19)
InChIKeyJJOHVRPVVZVFSC-UHFFFAOYSA-N
XLogP1.18
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 94164669
1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea
CID 113014511
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 120564420
4-amino-2-methyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 80543440
2-acetamido-3-methyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 18143999
1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 166532937
2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid
CID 65302404
2-amino-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 43704585
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 55740425
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (CID 47221133) is 1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is CC(CO)NC(=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is JJOHVRPVVZVFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(9-18)15-13(19)16-11-4-5-12(14-8-11)17-6-2-3-7-17/h4-5,8,10,18H,2-3,6-7,9H2,1H3,(H2,15,16,19).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 264.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 47221133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).