1-(1-hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea

C14H22N4O2 — CID 51082759

IUPAC1-(1-hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
SMILESCC(CO)NC(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C14H22N4O2/c1-11(10-19)17-14(20)16-9-12-4-5-15-13(8-12)18-6-2-3-7-18/h4-5,8,11,19H,2-3,6-7,9-10H2,1H3,(H2,16,17,20)
InChIKeyGXDNRZGPDQTXHM-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.86
Rot. Bonds5

About 1-(1-hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea

1-(1-hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea (PubChem CID 51082759) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
PubChem CID51082759
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(1-hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
SMILESCC(CO)NC(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C14H22N4O2/c1-11(10-19)17-14(20)16-9-12-4-5-15-13(8-12)18-6-2-3-7-18/h4-5,8,11,19H,2-3,6-7,9-10H2,1H3,(H2,16,17,20)
InChIKeyGXDNRZGPDQTXHM-UHFFFAOYSA-N
XLogP0.86
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea (CID 51082759) is 1-(1-hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea is CC(CO)NC(=O)NCc1ccnc(N2CCCC2)c1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The InChIKey is GXDNRZGPDQTXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(10-19)17-14(20)16-9-12-4-5-15-13(8-12)18-6-2-3-7-18/h4-5,8,11,19H,2-3,6-7,9-10H2,1H3,(H2,16,17,20).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
1-(1-hydroxypropan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea has a molecular weight of 278.36 g/mol, XLogP of 0.86, 5 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-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 51082759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).