1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea

C16H27N5O2 — CID 94029349

IUPAC1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea
SMILESC[C@H](CN1CCOCC1)NC(=O)NCc1cccnc1N(C)C
InChIInChI=1S/C16H27N5O2/c1-13(12-21-7-9-23-10-8-21)19-16(22)18-11-14-5-4-6-17-15(14)20(2)3/h4-6,13H,7-12H2,1-3H3,(H2,18,19,22)/t13-/m1/s1
InChIKeyNXMVRRHHTCMSMS-CYBMUJFWSA-N
MW321.43 g/mol
LogP0.67
Rot. Bonds6

About 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea

1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea (PubChem CID 94029349) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea
PubChem CID94029349
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea
SMILESC[C@H](CN1CCOCC1)NC(=O)NCc1cccnc1N(C)C
InChIInChI=1S/C16H27N5O2/c1-13(12-21-7-9-23-10-8-21)19-16(22)18-11-14-5-4-6-17-15(14)20(2)3/h4-6,13H,7-12H2,1-3H3,(H2,18,19,22)/t13-/m1/s1
InChIKeyNXMVRRHHTCMSMS-CYBMUJFWSA-N
XLogP0.67
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea with MolForge

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Related Compounds

1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 51082870
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94029130
1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 94102902
1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 47218856
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94028479
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 94202398
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(1-thiophen-2-ylethyl)urea
CID 51081847
2-(2-hydroxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 78990786
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 126774567
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 94154168
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide
CID 25370039
2-ethoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyridine-3-carboxamide
CID 94866907

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea (CID 94029349) is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea is C[C@H](CN1CCOCC1)NC(=O)NCc1cccnc1N(C)C.
What is the InChIKey of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea?
The InChIKey is NXMVRRHHTCMSMS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-13(12-21-7-9-23-10-8-21)19-16(22)18-11-14-5-4-6-17-15(14)20(2)3/h4-6,13H,7-12H2,1-3H3,(H2,18,19,22)/t13-/m1/s1.
What are the key properties of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea?
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea has a molecular weight of 321.43 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea is sourced from PubChem (CID 94029349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).