1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea

C18H25N5O — CID 128998866

IUPAC1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
SMILESCN1CC[C@@H](CNC(=O)NCCn2cccc2)[C@@H]1c1cccnc1
InChIInChI=1S/C18H25N5O/c1-22-11-6-16(17(22)15-5-4-7-19-13-15)14-21-18(24)20-8-12-23-9-2-3-10-23/h2-5,7,9-10,13,16-17H,6,8,11-12,14H2,1H3,(H2,20,21,24)/t16-,17-/m0/s1
InChIKeyZNSCSWYKHKQBFA-IRXDYDNUSA-N
MW327.43 g/mol
LogP1.88
Rot. Bonds6

About 1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea

1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea (PubChem CID 128998866) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea.

Molecular Properties

Compound Name1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
PubChem CID128998866
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
SMILESCN1CC[C@@H](CNC(=O)NCCn2cccc2)[C@@H]1c1cccnc1
InChIInChI=1S/C18H25N5O/c1-22-11-6-16(17(22)15-5-4-7-19-13-15)14-21-18(24)20-8-12-23-9-2-3-10-23/h2-5,7,9-10,13,16-17H,6,8,11-12,14H2,1H3,(H2,20,21,24)/t16-,17-/m0/s1
InChIKeyZNSCSWYKHKQBFA-IRXDYDNUSA-N
XLogP1.88
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea with MolForge

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Related Compounds

1-[(2-methylpyrazol-3-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128974623
1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-[(2R)-2-methylsulfanylpropyl]urea
CID 129335009
1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128989505
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 129006338
1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128992914
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128993502
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 129340545
3-(2-imidazol-1-ylethyl)-1-methyl-1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128970799
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 128992536
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 128968522
1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 129006330
3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 128968305

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea?
The IUPAC name of 1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea (CID 128998866) is 1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea.
What is the SMILES notation for 1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea?
The canonical SMILES for 1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea is CN1CC[C@@H](CNC(=O)NCCn2cccc2)[C@@H]1c1cccnc1.
What is the InChIKey of 1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea?
The InChIKey is ZNSCSWYKHKQBFA-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H25N5O/c1-22-11-6-16(17(22)15-5-4-7-19-13-15)14-21-18(24)20-8-12-23-9-2-3-10-23/h2-5,7,9-10,13,16-17H,6,8,11-12,14H2,1H3,(H2,20,21,24)/t16-,17-/m0/s1.
What are the key properties of 1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea?
1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea has a molecular weight of 327.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea is sourced from PubChem (CID 128998866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).