1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea

C16H26N4O — CID 86841958

IUPAC1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea
SMILESCC(CNC(=O)N(C)Cc1ccccn1)CN1CCCC1
InChIInChI=1S/C16H26N4O/c1-14(12-20-9-5-6-10-20)11-18-16(21)19(2)13-15-7-3-4-8-17-15/h3-4,7-8,14H,5-6,9-13H2,1-2H3,(H,18,21)
InChIKeyFTGMSHTZZNOVOI-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.95
Rot. Bonds6

About 1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea

1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea (PubChem CID 86841958) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea
PubChem CID86841958
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea
SMILESCC(CNC(=O)N(C)Cc1ccccn1)CN1CCCC1
InChIInChI=1S/C16H26N4O/c1-14(12-20-9-5-6-10-20)11-18-16(21)19(2)13-15-7-3-4-8-17-15/h3-4,7-8,14H,5-6,9-13H2,1-2H3,(H,18,21)
InChIKeyFTGMSHTZZNOVOI-UHFFFAOYSA-N
XLogP1.95
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 82688959
2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55105026
3-methyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223176
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459
(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 78967862
1-methyl-3-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 125447291
1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 125447292
1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(pyridin-2-ylmethyl)urea
CID 86841659
1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47490267
1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea
CID 126423883
N-(2-methyl-3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 110444324
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192554

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea (CID 86841958) is 1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea is CC(CNC(=O)N(C)Cc1ccccn1)CN1CCCC1.
What is the InChIKey of 1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea?
The InChIKey is FTGMSHTZZNOVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-14(12-20-9-5-6-10-20)11-18-16(21)19(2)13-15-7-3-4-8-17-15/h3-4,7-8,14H,5-6,9-13H2,1-2H3,(H,18,21).
What are the key properties of 1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea?
1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea has a molecular weight of 290.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 86841958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).