1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea

C17H28N4O — CID 126445887

IUPAC1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea
SMILESCC(C)N1CC[C@H](CNC(=O)N(C)CCc2ccccn2)C1
InChIInChI=1S/C17H28N4O/c1-14(2)21-11-7-15(13-21)12-19-17(22)20(3)10-8-16-6-4-5-9-18-16/h4-6,9,14-15H,7-8,10-13H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyYZRRMCVXVRMQSA-OAHLLOKOSA-N
MW304.44 g/mol
LogP2.00
Rot. Bonds6

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

1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea (PubChem CID 126445887) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea
PubChem CID126445887
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea
SMILESCC(C)N1CC[C@H](CNC(=O)N(C)CCc2ccccn2)C1
InChIInChI=1S/C17H28N4O/c1-14(2)21-11-7-15(13-21)12-19-17(22)20(3)10-8-16-6-4-5-9-18-16/h4-6,9,14-15H,7-8,10-13H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyYZRRMCVXVRMQSA-OAHLLOKOSA-N
XLogP2.00
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 126448355
N-methyl-2-[[N'-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamimidoyl]amino]-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111317451
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63616085
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
(2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 124811415
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
6-(dimethylamino)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95591154
3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 111507290
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451209
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 98763620
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 95598503

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea (CID 126445887) is 1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea is CC(C)N1CC[C@H](CNC(=O)N(C)CCc2ccccn2)C1.
What is the InChIKey of 1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is YZRRMCVXVRMQSA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14(2)21-11-7-15(13-21)12-19-17(22)20(3)10-8-16-6-4-5-9-18-16/h4-6,9,14-15H,7-8,10-13H2,1-3H3,(H,19,22)/t15-/m1/s1.
What are the key properties of 1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea?
1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 304.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 126445887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).