1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea

C15H22N4O2 — CID 111573124

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESO=C(NCC1(CO)CC1)Nc1cccnc1N1CCCC1
InChIInChI=1S/C15H22N4O2/c20-11-15(5-6-15)10-17-14(21)18-12-4-3-7-16-13(12)19-8-1-2-9-19/h3-4,7,20H,1-2,5-6,8-11H2,(H2,17,18,21)
InChIKeyBGTSKJGWVAFEOL-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.58
Rot. Bonds5

About 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 111573124) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID111573124
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESO=C(NCC1(CO)CC1)Nc1cccnc1N1CCCC1
InChIInChI=1S/C15H22N4O2/c20-11-15(5-6-15)10-17-14(21)18-12-4-3-7-16-13(12)19-8-1-2-9-19/h3-4,7,20H,1-2,5-6,8-11H2,(H2,17,18,21)
InChIKeyBGTSKJGWVAFEOL-UHFFFAOYSA-N
XLogP1.58
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111572950
1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 126841002
1-(2-pyrrolidin-1-yl-3-pyridinyl)-3-[[1-(1,2,4-triazol-1-yl)cyclopropyl]methyl]urea
CID 167843937
1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 112829342
1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 126839726
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 115363234
2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
CID 47354331
1-[[(4S)-1,3-dioxan-4-yl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 97076924
2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 115426176

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea (CID 111573124) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea is O=C(NCC1(CO)CC1)Nc1cccnc1N1CCCC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is BGTSKJGWVAFEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-11-15(5-6-15)10-17-14(21)18-12-4-3-7-16-13(12)19-8-1-2-9-19/h3-4,7,20H,1-2,5-6,8-11H2,(H2,17,18,21).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 290.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 111573124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).