3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea

C18H20N4O — CID 166389046

IUPAC3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea
SMILESCc1cnc(C)c(NC(=O)N(C)Cc2cc3ccccc3[nH]2)c1
InChIInChI=1S/C18H20N4O/c1-12-8-17(13(2)19-10-12)21-18(23)22(3)11-15-9-14-6-4-5-7-16(14)20-15/h4-10,20H,11H2,1-3H3,(H,21,23)
InChIKeyFKOYJPZWIZPSHM-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.84
Rot. Bonds3

About 3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea

3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea (PubChem CID 166389046) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea
PubChem CID166389046
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea
SMILESCc1cnc(C)c(NC(=O)N(C)Cc2cc3ccccc3[nH]2)c1
InChIInChI=1S/C18H20N4O/c1-12-8-17(13(2)19-10-12)21-18(23)22(3)11-15-9-14-6-4-5-7-16(14)20-15/h4-10,20H,11H2,1-3H3,(H,21,23)
InChIKeyFKOYJPZWIZPSHM-UHFFFAOYSA-N
XLogP3.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride
CID 158279804
1H-indol-2-ylmethylcarbamic acid
CID 68691362
2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine
CID 111087914
3-(2,5-dimethylphenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749594
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide
CID 166231237
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
N-tert-butyl-2-(1H-indol-2-yl)acetamide
CID 3274953
N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 102184526
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide
CID 63822837
3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
CID 118781362
3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea
CID 131913904
1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine
CID 165076117

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea?
The IUPAC name of 3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea (CID 166389046) is 3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea?
The canonical SMILES for 3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea is Cc1cnc(C)c(NC(=O)N(C)Cc2cc3ccccc3[nH]2)c1.
What is the InChIKey of 3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea?
The InChIKey is FKOYJPZWIZPSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-8-17(13(2)19-10-12)21-18(23)22(3)11-15-9-14-6-4-5-7-16(14)20-15/h4-10,20H,11H2,1-3H3,(H,21,23).
What are the key properties of 3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea?
3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea has a molecular weight of 308.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea is sourced from PubChem (CID 166389046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).