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

C11H17N3O2 — CID 111104369

IUPAC1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccnc1CNC(=O)NC(C)CO
InChIInChI=1S/C11H17N3O2/c1-8-4-3-5-12-10(8)6-13-11(16)14-9(2)7-15/h3-5,9,15H,6-7H2,1-2H3,(H2,13,14,16)
InChIKeyYVEFCEXJBBGQBL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.57
Rot. Bonds4

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

1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea (PubChem CID 111104369) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea
PubChem CID111104369
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccnc1CNC(=O)NC(C)CO
InChIInChI=1S/C11H17N3O2/c1-8-4-3-5-12-10(8)6-13-11(16)14-9(2)7-15/h3-5,9,15H,6-7H2,1-2H3,(H2,13,14,16)
InChIKeyYVEFCEXJBBGQBL-UHFFFAOYSA-N
XLogP0.57
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(3-methyl-2-pyridinyl)methylcarbamoylamino]propanoic acid
CID 55205966
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94029130
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
1-(2-hydroxy-2,5-dimethylhexyl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111455276
N-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide
CID 95312229
(2S)-5-amino-2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 63309082
3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 55206150
1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111121213
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000992
3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 112650240

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea (CID 111104369) is 1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea is Cc1cccnc1CNC(=O)NC(C)CO.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea?
The InChIKey is YVEFCEXJBBGQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-4-3-5-12-10(8)6-13-11(16)14-9(2)7-15/h3-5,9,15H,6-7H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea?
1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea has a molecular weight of 223.28 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 111104369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).