1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea

C20H23N5O — CID 164574057

IUPAC1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea
SMILESCNC(=O)Nc1c[nH]c2ccc(-c3ccnc(N4CCCCC4)c3)cc12
InChIInChI=1S/C20H23N5O/c1-21-20(26)24-18-13-23-17-6-5-14(11-16(17)18)15-7-8-22-19(12-15)25-9-3-2-4-10-25/h5-8,11-13,23H,2-4,9-10H2,1H3,(H2,21,24,26)
InChIKeyGLQSGDDQBVLUOD-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.97
Rot. Bonds3

About 1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea

1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea (PubChem CID 164574057) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea
PubChem CID164574057
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea
SMILESCNC(=O)Nc1c[nH]c2ccc(-c3ccnc(N4CCCCC4)c3)cc12
InChIInChI=1S/C20H23N5O/c1-21-20(26)24-18-13-23-17-6-5-14(11-16(17)18)15-7-8-22-19(12-15)25-9-3-2-4-10-25/h5-8,11-13,23H,2-4,9-10H2,1H3,(H2,21,24,26)
InChIKeyGLQSGDDQBVLUOD-UHFFFAOYSA-N
XLogP3.97
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-piperidin-1-yl-4-pyridinyl)-1H-indole
CID 175773336
N-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide
CID 166951673
1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 50830250
N-(2-piperidin-1-yl-4-pyridinyl)pyrrolidine-1-carboxamide
CID 155954671
1-(2-methylsulfanylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 87003359
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1H-indazole-3-carboxamide
CID 118381614
1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine
CID 119125461
3-ethynyl-5-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 160710902
1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 87003335
4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide
CID 119043684
1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one
CID 83888257
3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole
CID 85472972

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea?
The IUPAC name of 1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea (CID 164574057) is 1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea.
What is the SMILES notation for 1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea?
The canonical SMILES for 1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea is CNC(=O)Nc1c[nH]c2ccc(-c3ccnc(N4CCCCC4)c3)cc12.
What is the InChIKey of 1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea?
The InChIKey is GLQSGDDQBVLUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-21-20(26)24-18-13-23-17-6-5-14(11-16(17)18)15-7-8-22-19(12-15)25-9-3-2-4-10-25/h5-8,11-13,23H,2-4,9-10H2,1H3,(H2,21,24,26).
What are the key properties of 1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea?
1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea has a molecular weight of 349.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea is sourced from PubChem (CID 164574057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).