1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea

C17H18N4O2 — CID 94129872

IUPAC1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea
SMILESCc1cccnc1NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H18N4O2/c1-10-4-3-7-18-16(10)21-17(23)19-11(2)12-5-6-14-13(8-12)9-15(22)20-14/h3-8,11H,9H2,1-2H3,(H,20,22)(H2,18,19,21,23)/t11-/m1/s1
InChIKeyRLSWKFBBZMHWEF-LLVKDONJSA-N
MW310.36 g/mol
LogP2.77
Rot. Bonds3

About 1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea

1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea (PubChem CID 94129872) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea
PubChem CID94129872
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea
SMILESCc1cccnc1NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H18N4O2/c1-10-4-3-7-18-16(10)21-17(23)19-11(2)12-5-6-14-13(8-12)9-15(22)20-14/h3-8,11H,9H2,1-2H3,(H,20,22)(H2,18,19,21,23)/t11-/m1/s1
InChIKeyRLSWKFBBZMHWEF-LLVKDONJSA-N
XLogP2.77
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea (CID 94129872) is 1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea is Cc1cccnc1NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea?
The InChIKey is RLSWKFBBZMHWEF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-4-3-7-18-16(10)21-17(23)19-11(2)12-5-6-14-13(8-12)9-15(22)20-14/h3-8,11H,9H2,1-2H3,(H,20,22)(H2,18,19,21,23)/t11-/m1/s1.
What are the key properties of 1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea?
1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea has a molecular weight of 310.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea is sourced from PubChem (CID 94129872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).