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

C12H20N4O2 — CID 94029130

IUPAC1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
SMILESC[C@H](CO)NC(=O)NCc1cccnc1N(C)C
InChIInChI=1S/C12H20N4O2/c1-9(8-17)15-12(18)14-7-10-5-4-6-13-11(10)16(2)3/h4-6,9,17H,7-8H2,1-3H3,(H2,14,15,18)/t9-/m1/s1
InChIKeyMOOBQUBKBHQYKH-SECBINFHSA-N
MW252.32 g/mol
LogP0.33
Rot. Bonds5

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

1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea (PubChem CID 94029130) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
PubChem CID94029130
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
SMILESC[C@H](CO)NC(=O)NCc1cccnc1N(C)C
InChIInChI=1S/C12H20N4O2/c1-9(8-17)15-12(18)14-7-10-5-4-6-13-11(10)16(2)3/h4-6,9,17H,7-8H2,1-3H3,(H2,14,15,18)/t9-/m1/s1
InChIKeyMOOBQUBKBHQYKH-SECBINFHSA-N
XLogP0.33
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea
CID 94029349
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(1-thiophen-2-ylethyl)urea
CID 51081847
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94028479
1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111104369
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide
CID 94775944
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119850372
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 126774567
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 45243997
N-[3-[[2-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]-4-methylphenyl]-2-methylpropanamide
CID 47041615
2-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylacetamide
CID 119850323
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 55692566

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea (CID 94029130) is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea is C[C@H](CO)NC(=O)NCc1cccnc1N(C)C.
What is the InChIKey of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea?
The InChIKey is MOOBQUBKBHQYKH-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(8-17)15-12(18)14-7-10-5-4-6-13-11(10)16(2)3/h4-6,9,17H,7-8H2,1-3H3,(H2,14,15,18)/t9-/m1/s1.
What are the key properties of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea?
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea has a molecular weight of 252.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea is sourced from PubChem (CID 94029130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).