1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea

C19H22N4O2 — CID 47490267

IUPAC1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCN(Cc1ccccn1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N4O2/c1-22(14-17-6-2-3-11-20-17)19(25)21-16-9-7-15(8-10-16)18(24)23-12-4-5-13-23/h2-3,6-11H,4-5,12-14H2,1H3,(H,21,25)
InChIKeyYLBDHQDRUZQSTF-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.98
Rot. Bonds4

About 1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea

1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 47490267) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID47490267
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCN(Cc1ccccn1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N4O2/c1-22(14-17-6-2-3-11-20-17)19(25)21-16-9-7-15(8-10-16)18(24)23-12-4-5-13-23/h2-3,6-11H,4-5,12-14H2,1H3,(H,21,25)
InChIKeyYLBDHQDRUZQSTF-UHFFFAOYSA-N
XLogP2.98
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47393550
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459
1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea
CID 87010519
4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide
CID 47493098
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 61346260
3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 91652991
1-methyl-3-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1-(pyridin-2-ylmethyl)urea
CID 47489615
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 56516489
4-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carbonyl]benzonitrile
CID 129343587
[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 35901272
N-[4-(azepane-1-carbonyl)phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55887105
1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea
CID 86841958

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea (CID 47490267) is 1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea is CN(Cc1ccccn1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is YLBDHQDRUZQSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22(14-17-6-2-3-11-20-17)19(25)21-16-9-7-15(8-10-16)18(24)23-12-4-5-13-23/h2-3,6-11H,4-5,12-14H2,1H3,(H,21,25).
What are the key properties of 1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 338.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 47490267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).