1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea

C18H20N4O — CID 47085396

IUPAC1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea
SMILESCc1cc(CNC(=O)Nc2ccccn2)c2[nH]c(C)c(C)c2c1
InChIInChI=1S/C18H20N4O/c1-11-8-14(17-15(9-11)12(2)13(3)21-17)10-20-18(23)22-16-6-4-5-7-19-16/h4-9,21H,10H2,1-3H3,(H2,19,20,22,23)
InChIKeyXWXYPPXTYFDKGH-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.81
Rot. Bonds3

About 1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea

1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea (PubChem CID 47085396) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea.

Molecular Properties

Compound Name1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea
PubChem CID47085396
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea
SMILESCc1cc(CNC(=O)Nc2ccccn2)c2[nH]c(C)c(C)c2c1
InChIInChI=1S/C18H20N4O/c1-11-8-14(17-15(9-11)12(2)13(3)21-17)10-20-18(23)22-16-6-4-5-7-19-16/h4-9,21H,10H2,1-3H3,(H2,19,20,22,23)
InChIKeyXWXYPPXTYFDKGH-UHFFFAOYSA-N
XLogP3.81
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide
CID 47080290
4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120928380
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
CID 56861398
1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea
CID 47237582
1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea
CID 51084990
2-(5-methyl-1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
CID 22519774
1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
CID 108894670
N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,4-dioxane-2-carboxamide
CID 71936903
2-methyl-1-prop-2-ynyl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]guanidine
CID 119148946
N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 56866475
1-[2-(pentan-3-ylamino)ethyl]-3-pyridin-2-ylurea
CID 138623124
1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea
CID 108897307

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea?
The IUPAC name of 1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea (CID 47085396) is 1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea.
What is the SMILES notation for 1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea?
The canonical SMILES for 1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea is Cc1cc(CNC(=O)Nc2ccccn2)c2[nH]c(C)c(C)c2c1.
What is the InChIKey of 1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea?
The InChIKey is XWXYPPXTYFDKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-11-8-14(17-15(9-11)12(2)13(3)21-17)10-20-18(23)22-16-6-4-5-7-19-16/h4-9,21H,10H2,1-3H3,(H2,19,20,22,23).
What are the key properties of 1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea?
1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea has a molecular weight of 308.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea is sourced from PubChem (CID 47085396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).