1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea

C17H22N4O2S — CID 36974773

IUPAC1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
SMILESC[C@@H](NC(=O)NCc1ccnc(N2CCOCC2)c1)c1cccs1
InChIInChI=1S/C17H22N4O2S/c1-13(15-3-2-10-24-15)20-17(22)19-12-14-4-5-18-16(11-14)21-6-8-23-9-7-21/h2-5,10-11,13H,6-9,12H2,1H3,(H2,19,20,22)/t13-/m1/s1
InChIKeyWHAMAWWKWJWFNK-CYBMUJFWSA-N
MW346.46 g/mol
LogP2.54
Rot. Bonds5

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

1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea (PubChem CID 36974773) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
PubChem CID36974773
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
SMILESC[C@@H](NC(=O)NCc1ccnc(N2CCOCC2)c1)c1cccs1
InChIInChI=1S/C17H22N4O2S/c1-13(15-3-2-10-24-15)20-17(22)19-12-14-4-5-18-16(11-14)21-6-8-23-9-7-21/h2-5,10-11,13H,6-9,12H2,1H3,(H2,19,20,22)/t13-/m1/s1
InChIKeyWHAMAWWKWJWFNK-CYBMUJFWSA-N
XLogP2.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 71893294
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111984578
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(3S)-3-phenylbutyl]urea
CID 52518727
(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32584933
3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide
CID 55698495
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
1-[(2R)-2-morpholin-4-ylpropyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 94028317
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 94068233
2-benzylsulfanyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 47047059

Frequently Asked Questions

What is the IUPAC name of 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea?
The IUPAC name of 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea (CID 36974773) is 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea is C[C@@H](NC(=O)NCc1ccnc(N2CCOCC2)c1)c1cccs1.
What is the InChIKey of 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea?
The InChIKey is WHAMAWWKWJWFNK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-13(15-3-2-10-24-15)20-17(22)19-12-14-4-5-18-16(11-14)21-6-8-23-9-7-21/h2-5,10-11,13H,6-9,12H2,1H3,(H2,19,20,22)/t13-/m1/s1.
What are the key properties of 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea?
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea has a molecular weight of 346.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea is sourced from PubChem (CID 36974773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).