3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea

C22H30N4O — CID 126448355

IUPAC3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea
SMILESCN(CCc1ccccn1)C(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H30N4O/c1-25(15-12-21-9-5-6-13-23-21)22(27)24-14-10-20-11-16-26(18-20)17-19-7-3-2-4-8-19/h2-9,13,20H,10-12,14-18H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyNJVRFOBXMXNLOV-HXUWFJFHSA-N
MW366.51 g/mol
LogP3.18
Rot. Bonds8

About 3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea

3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea (PubChem CID 126448355) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea
PubChem CID126448355
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea
SMILESCN(CCc1ccccn1)C(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H30N4O/c1-25(15-12-21-9-5-6-13-23-21)22(27)24-14-10-20-11-16-26(18-20)17-19-7-3-2-4-8-19/h2-9,13,20H,10-12,14-18H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyNJVRFOBXMXNLOV-HXUWFJFHSA-N
XLogP3.18
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-[(3-methyl-4-pyridinyl)methyl]urea
CID 126434110
3-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 56746231
1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea
CID 126445887
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide
CID 124753121
3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 86864451
N-methyl-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 25289755
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide
CID 124758221
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide
CID 125165434
1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451209
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 99937090
1-[2-(1-benzylpyrrolidin-3-yl)ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 118770726

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea (CID 126448355) is 3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea is CN(CCc1ccccn1)C(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of 3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is NJVRFOBXMXNLOV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N4O/c1-25(15-12-21-9-5-6-13-23-21)22(27)24-14-10-20-11-16-26(18-20)17-19-7-3-2-4-8-19/h2-9,13,20H,10-12,14-18H2,1H3,(H,24,27)/t20-/m1/s1.
What are the key properties of 3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea?
3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 366.51 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 126448355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).