1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea

C15H24N4O2 — CID 97242533

IUPAC1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
SMILESCOC[C@@H](NC(=O)NCc1cccc(N(C)C)n1)C1CC1
InChIInChI=1S/C15H24N4O2/c1-19(2)14-6-4-5-12(17-14)9-16-15(20)18-13(10-21-3)11-7-8-11/h4-6,11,13H,7-10H2,1-3H3,(H2,16,18,20)/t13-/m1/s1
InChIKeyMBZXWVZIRLMEGT-CYBMUJFWSA-N
MW292.38 g/mol
LogP1.37
Rot. Bonds7

About 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea

1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea (PubChem CID 97242533) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
PubChem CID97242533
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
SMILESCOC[C@@H](NC(=O)NCc1cccc(N(C)C)n1)C1CC1
InChIInChI=1S/C15H24N4O2/c1-19(2)14-6-4-5-12(17-14)9-16-15(20)18-13(10-21-3)11-7-8-11/h4-6,11,13H,7-10H2,1-3H3,(H2,16,18,20)/t13-/m1/s1
InChIKeyMBZXWVZIRLMEGT-CYBMUJFWSA-N
XLogP1.37
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea?
The IUPAC name of 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea (CID 97242533) is 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea?
The canonical SMILES for 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea is COC[C@@H](NC(=O)NCc1cccc(N(C)C)n1)C1CC1.
What is the InChIKey of 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea?
The InChIKey is MBZXWVZIRLMEGT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-19(2)14-6-4-5-12(17-14)9-16-15(20)18-13(10-21-3)11-7-8-11/h4-6,11,13H,7-10H2,1-3H3,(H2,16,18,20)/t13-/m1/s1.
What are the key properties of 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea?
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea has a molecular weight of 292.38 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea is sourced from PubChem (CID 97242533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).