1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea

C19H28N4O — CID 125440210

IUPAC1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea
SMILESCc1c(CN(C)C(=O)N[C@@H](C)CN2CCCC2)[nH]c2ccccc12
InChIInChI=1S/C19H28N4O/c1-14(12-23-10-6-7-11-23)20-19(24)22(3)13-18-15(2)16-8-4-5-9-17(16)21-18/h4-5,8-9,14,21H,6-7,10-13H2,1-3H3,(H,20,24)/t14-/m0/s1
InChIKeySPZQSGUCALCLQM-AWEZNQCLSA-N
MW328.46 g/mol
LogP3.10
Rot. Bonds5

About 1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea

1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea (PubChem CID 125440210) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea
PubChem CID125440210
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea
SMILESCc1c(CN(C)C(=O)N[C@@H](C)CN2CCCC2)[nH]c2ccccc12
InChIInChI=1S/C19H28N4O/c1-14(12-23-10-6-7-11-23)20-19(24)22(3)13-18-15(2)16-8-4-5-9-17(16)21-18/h4-5,8-9,14,21H,6-7,10-13H2,1-3H3,(H,20,24)/t14-/m0/s1
InChIKeySPZQSGUCALCLQM-AWEZNQCLSA-N
XLogP3.10
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine
CID 119082195
N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide
CID 72838254
2-methyl-3-[methyl(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 55007380
1-[3-(2,4-dimethylphenoxy)propyl]-1-methyl-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 125440253
1-[3-(2,4-dimethylphenoxy)propyl]-1-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 122562465
1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea
CID 86841958
N-methyl-2-(methylamino)-N-[(3-methyl-1H-indol-2-yl)methyl]pyridine-3-carboxamide
CID 56756856
1-methyl-3-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-1-[(1-phenylcyclopropyl)methyl]urea
CID 99826059
[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol
CID 95857188
1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 125435876
1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea
CID 47071760
2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 42957552

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea?
The IUPAC name of 1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea (CID 125440210) is 1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea is Cc1c(CN(C)C(=O)N[C@@H](C)CN2CCCC2)[nH]c2ccccc12.
What is the InChIKey of 1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea?
The InChIKey is SPZQSGUCALCLQM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14(12-23-10-6-7-11-23)20-19(24)22(3)13-18-15(2)16-8-4-5-9-17(16)21-18/h4-5,8-9,14,21H,6-7,10-13H2,1-3H3,(H,20,24)/t14-/m0/s1.
What are the key properties of 1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea?
1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea has a molecular weight of 328.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea is sourced from PubChem (CID 125440210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).