1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea

C17H20FN5O — CID 128992914

IUPAC1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
SMILESCN1CC[C@@H](CNC(=O)Nc2ccncc2F)[C@@H]1c1cccnc1
InChIInChI=1S/C17H20FN5O/c1-23-8-5-13(16(23)12-3-2-6-19-9-12)10-21-17(24)22-15-4-7-20-11-14(15)18/h2-4,6-7,9,11,13,16H,5,8,10H2,1H3,(H2,20,21,22,24)/t13-,16-/m0/s1
InChIKeySKXXEGIXDUIXHU-BBRMVZONSA-N
MW329.38 g/mol
LogP2.43
Rot. Bonds4

About 1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea

1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea (PubChem CID 128992914) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
PubChem CID128992914
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
SMILESCN1CC[C@@H](CNC(=O)Nc2ccncc2F)[C@@H]1c1cccnc1
InChIInChI=1S/C17H20FN5O/c1-23-8-5-13(16(23)12-3-2-6-19-9-12)10-21-17(24)22-15-4-7-20-11-14(15)18/h2-4,6-7,9,11,13,16H,5,8,10H2,1H3,(H2,20,21,22,24)/t13-,16-/m0/s1
InChIKeySKXXEGIXDUIXHU-BBRMVZONSA-N
XLogP2.43
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
CID 128998866
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
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 129340545
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 129006338
2-(cyclopropylmethoxy)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide
CID 128970530
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 128968522
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 128992536
1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 129006330
6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 128991830

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea (CID 128992914) is 1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea is CN1CC[C@@H](CNC(=O)Nc2ccncc2F)[C@@H]1c1cccnc1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea?
The InChIKey is SKXXEGIXDUIXHU-BBRMVZONSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-23-8-5-13(16(23)12-3-2-6-19-9-12)10-21-17(24)22-15-4-7-20-11-14(15)18/h2-4,6-7,9,11,13,16H,5,8,10H2,1H3,(H2,20,21,22,24)/t13-,16-/m0/s1.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea?
1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea has a molecular weight of 329.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 128992914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).