1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea

C19H22N4O2 — CID 125164327

IUPAC1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea
SMILESCc1ccnc(C[C@H](C)N(C)C(=O)Nc2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C19H22N4O2/c1-12-6-7-20-16(8-12)9-13(2)23(3)19(25)21-15-4-5-17-14(10-15)11-18(24)22-17/h4-8,10,13H,9,11H2,1-3H3,(H,21,25)(H,22,24)/t13-/m0/s1
InChIKeyATWUNIZCEYRKHI-ZDUSSCGKSA-N
MW338.41 g/mol
LogP2.98
Rot. Bonds4

About 1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea

1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea (PubChem CID 125164327) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea.

Molecular Properties

Compound Name1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea
PubChem CID125164327
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea
SMILESCc1ccnc(C[C@H](C)N(C)C(=O)Nc2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C19H22N4O2/c1-12-6-7-20-16(8-12)9-13(2)23(3)19(25)21-15-4-5-17-14(10-15)11-18(24)22-17/h4-8,10,13H,9,11H2,1-3H3,(H,21,25)(H,22,24)/t13-/m0/s1
InChIKeyATWUNIZCEYRKHI-ZDUSSCGKSA-N
XLogP2.98
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 125164323
3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
CID 97445666
3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
CID 126427606
4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid
CID 121496087
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)pentanamide
CID 115156546
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide;hydrochloride
CID 119281521
3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
CID 126444492
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
CID 126428727
1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 75523388
3-amino-2-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 115180257
3-hydroxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-2-carboxamide
CID 47000342

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The IUPAC name of 1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea (CID 125164327) is 1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea.
What is the SMILES notation for 1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The canonical SMILES for 1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea is Cc1ccnc(C[C@H](C)N(C)C(=O)Nc2ccc3c(c2)CC(=O)N3)c1.
What is the InChIKey of 1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The InChIKey is ATWUNIZCEYRKHI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-6-7-20-16(8-12)9-13(2)23(3)19(25)21-15-4-5-17-14(10-15)11-18(24)22-17/h4-8,10,13H,9,11H2,1-3H3,(H,21,25)(H,22,24)/t13-/m0/s1.
What are the key properties of 1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea has a molecular weight of 338.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea is sourced from PubChem (CID 125164327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).