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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Related Compounds

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 71891405
1-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94031015
1-(2-fluoro-6-methylphenyl)-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 124575118
1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 95130541
2-amino-2-(4-methylphenyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 120667587
2-methyl-3-(methylamino)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 119736221
1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94077981
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea
CID 97088663
7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide
CID 119736199
1-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296412
2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120589439
N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide
CID 166278666

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).