1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea

C18H23N3O2 — CID 95096708

IUPAC1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea
SMILESCC[C@@H](C)NC(=O)NCc1cccnc1-c1ccc(OC)cc1
InChIInChI=1S/C18H23N3O2/c1-4-13(2)21-18(22)20-12-15-6-5-11-19-17(15)14-7-9-16(23-3)10-8-14/h5-11,13H,4,12H2,1-3H3,(H2,20,21,22)/t13-/m1/s1
InChIKeyKATNVJZIWILWDC-CYBMUJFWSA-N
MW313.40 g/mol
LogP3.35
Rot. Bonds6

About 1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea

1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea (PubChem CID 95096708) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea
PubChem CID95096708
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea
SMILESCC[C@@H](C)NC(=O)NCc1cccnc1-c1ccc(OC)cc1
InChIInChI=1S/C18H23N3O2/c1-4-13(2)21-18(22)20-12-15-6-5-11-19-17(15)14-7-9-16(23-3)10-8-14/h5-11,13H,4,12H2,1-3H3,(H2,20,21,22)/t13-/m1/s1
InChIKeyKATNVJZIWILWDC-CYBMUJFWSA-N
XLogP3.35
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 53184866
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275224
1-benzyl-3-butan-2-ylurea
CID 10512480
1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea
CID 10319226
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46583960
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
1-[(2-methoxyphenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042538
1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 47235934
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94029130
1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95178027

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea (CID 95096708) is 1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea is CC[C@@H](C)NC(=O)NCc1cccnc1-c1ccc(OC)cc1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea?
The InChIKey is KATNVJZIWILWDC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-13(2)21-18(22)20-12-15-6-5-11-19-17(15)14-7-9-16(23-3)10-8-14/h5-11,13H,4,12H2,1-3H3,(H2,20,21,22)/t13-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea?
1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea has a molecular weight of 313.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 95096708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).