1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea

C18H22N4O — CID 51264469

IUPAC1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)Nc1cccnc1
InChIInChI=1S/C18H22N4O/c1-21(18(23)20-16-8-6-10-19-13-16)14-15-7-2-3-9-17(15)22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,20,23)
InChIKeyIUMOSLSWFFEPMV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.35
Rot. Bonds4

About 1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea

1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea (PubChem CID 51264469) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
PubChem CID51264469
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)Nc1cccnc1
InChIInChI=1S/C18H22N4O/c1-21(18(23)20-16-8-6-10-19-13-16)14-15-7-2-3-9-17(15)22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,20,23)
InChIKeyIUMOSLSWFFEPMV-UHFFFAOYSA-N
XLogP3.35
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 51328293
1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 55696576
1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 86986794
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 52667538
1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea
CID 166243112
3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 56566423
4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025212
4-N-methyl-1-N-phenyl-4-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 9361588
3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 87003169
2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide
CID 166202726
1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17393832

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea?
The IUPAC name of 1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea (CID 51264469) is 1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea is CN(Cc1ccccc1N1CCCC1)C(=O)Nc1cccnc1.
What is the InChIKey of 1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea?
The InChIKey is IUMOSLSWFFEPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-21(18(23)20-16-8-6-10-19-13-16)14-15-7-2-3-9-17(15)22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,20,23).
What are the key properties of 1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea?
1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea has a molecular weight of 310.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea is sourced from PubChem (CID 51264469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).