1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea

C19H24N4O2S — CID 55797626

IUPAC1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccnc1N1CCOCC1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C19H24N4O2S/c24-19(23(16-5-6-16)14-17-4-2-12-26-17)21-13-15-3-1-7-20-18(15)22-8-10-25-11-9-22/h1-4,7,12,16H,5-6,8-11,13-14H2,(H,21,24)
InChIKeyKJYKBBOHPVHVSG-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.85
Rot. Bonds6

About 1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea

1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea (PubChem CID 55797626) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea
PubChem CID55797626
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccnc1N1CCOCC1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C19H24N4O2S/c24-19(23(16-5-6-16)14-17-4-2-12-26-17)21-13-15-3-1-7-20-18(15)22-8-10-25-11-9-22/h1-4,7,12,16H,5-6,8-11,13-14H2,(H,21,24)
InChIKeyKJYKBBOHPVHVSG-UHFFFAOYSA-N
XLogP2.85
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 73167821
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55911991
1-cyclopropyl-3-[[2-(propoxymethyl)phenyl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 87007968
1-[2-(methoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 55704978
3-amino-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119847187
cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97081544
1-[[(1R,2S)-2-methylcyclopropyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 94029265
1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 55609235
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124841947
(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 94045824
(2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-pyrazol-1-ylpropanamide
CID 94037913

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea (CID 55797626) is 1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea is O=C(NCc1cccnc1N1CCOCC1)N(Cc1cccs1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea?
The InChIKey is KJYKBBOHPVHVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c24-19(23(16-5-6-16)14-17-4-2-12-26-17)21-13-15-3-1-7-20-18(15)22-8-10-25-11-9-22/h1-4,7,12,16H,5-6,8-11,13-14H2,(H,21,24).
What are the key properties of 1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea?
1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea has a molecular weight of 372.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 55797626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).