1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea

C23H29N5O2 — CID 66971321

IUPAC1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
SMILESCN1CCCCC1CNC(=O)Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1
InChIInChI=1S/C23H29N5O2/c1-27-12-6-5-9-20(27)15-25-23(30)26-21-14-19(10-11-24-21)28-16-18(13-22(28)29)17-7-3-2-4-8-17/h2-4,7-8,10-11,14,18,20H,5-6,9,12-13,15-16H2,1H3,(H2,24,25,26,30)
InChIKeyKQVSFTRTEOTQHR-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.21
Rot. Bonds5

About 1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea

1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea (PubChem CID 66971321) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
PubChem CID66971321
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
SMILESCN1CCCCC1CNC(=O)Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1
InChIInChI=1S/C23H29N5O2/c1-27-12-6-5-9-20(27)15-25-23(30)26-21-14-19(10-11-24-21)28-16-18(13-22(28)29)17-7-3-2-4-8-17/h2-4,7-8,10-11,14,18,20H,5-6,9,12-13,15-16H2,1H3,(H2,24,25,26,30)
InChIKeyKQVSFTRTEOTQHR-UHFFFAOYSA-N
XLogP3.21
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea with MolForge

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Related Compounds

N-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 124636526
1-(2-chloroethyl)-3-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]urea
CID 124636542
1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
CID 58150100
1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
CID 58150117
4-fluoro-N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]benzamide
CID 58150102
4-methoxy-N-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]benzamide
CID 124636540
N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide
CID 76687568
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106020866
3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide
CID 113447691
5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106020904
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 94800617
4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 90976243

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea?
The IUPAC name of 1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea (CID 66971321) is 1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea.
What is the SMILES notation for 1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea?
The canonical SMILES for 1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea is CN1CCCCC1CNC(=O)Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1.
What is the InChIKey of 1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea?
The InChIKey is KQVSFTRTEOTQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-27-12-6-5-9-20(27)15-25-23(30)26-21-14-19(10-11-24-21)28-16-18(13-22(28)29)17-7-3-2-4-8-17/h2-4,7-8,10-11,14,18,20H,5-6,9,12-13,15-16H2,1H3,(H2,24,25,26,30).
What are the key properties of 1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea?
1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea has a molecular weight of 407.52 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea is sourced from PubChem (CID 66971321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).