1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea

C17H25N5O2 — CID 125446393

IUPAC1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea
SMILESCC[C@H](NC(=O)N(CCOC)Cc1ccccn1)c1ccnn1C
InChIInChI=1S/C17H25N5O2/c1-4-15(16-8-10-19-21(16)2)20-17(23)22(11-12-24-3)13-14-7-5-6-9-18-14/h5-10,15H,4,11-13H2,1-3H3,(H,20,23)/t15-/m0/s1
InChIKeyNMKIGAULVVGUPS-HNNXBMFYSA-N
MW331.42 g/mol
LogP2.12
Rot. Bonds8

About 1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea

1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea (PubChem CID 125446393) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea
PubChem CID125446393
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea
SMILESCC[C@H](NC(=O)N(CCOC)Cc1ccccn1)c1ccnn1C
InChIInChI=1S/C17H25N5O2/c1-4-15(16-8-10-19-21(16)2)20-17(23)22(11-12-24-3)13-14-7-5-6-9-18-14/h5-10,15H,4,11-13H2,1-3H3,(H,20,23)/t15-/m0/s1
InChIKeyNMKIGAULVVGUPS-HNNXBMFYSA-N
XLogP2.12
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
4-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993144
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
2-(ethylamino)-N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 62836098
3-hydroxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-2-carboxamide
CID 91773008
2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 61052507
(2S)-2-amino-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)hexanamide
CID 103950562
(2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide
CID 97205508
1-ethyl-N-(2-methoxyethyl)-2-oxo-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 77080615
2-amino-N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 60953687

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea (CID 125446393) is 1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea is CC[C@H](NC(=O)N(CCOC)Cc1ccccn1)c1ccnn1C.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea?
The InChIKey is NMKIGAULVVGUPS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-15(16-8-10-19-21(16)2)20-17(23)22(11-12-24-3)13-14-7-5-6-9-18-14/h5-10,15H,4,11-13H2,1-3H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea?
1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea has a molecular weight of 331.42 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 125446393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).