1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea

C23H32N6O — CID 23263071

IUPAC1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea
SMILESCN1CCCCC1c1ccc(NC(=O)Nc2ccc(C3CCCCN3C)cn2)nc1
InChIInChI=1S/C23H32N6O/c1-28-13-5-3-7-19(28)17-9-11-21(24-15-17)26-23(30)27-22-12-10-18(16-25-22)20-8-4-6-14-29(20)2/h9-12,15-16,19-20H,3-8,13-14H2,1-2H3,(H2,24,25,26,27,30)
InChIKeyRYASRGTYSJOHEA-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.43
Rot. Bonds4

About 1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea

1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea (PubChem CID 23263071) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea
PubChem CID23263071
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea
SMILESCN1CCCCC1c1ccc(NC(=O)Nc2ccc(C3CCCCN3C)cn2)nc1
InChIInChI=1S/C23H32N6O/c1-28-13-5-3-7-19(28)17-9-11-21(24-15-17)26-23(30)27-22-12-10-18(16-25-22)20-8-4-6-14-29(20)2/h9-12,15-16,19-20H,3-8,13-14H2,1-2H3,(H2,24,25,26,27,30)
InChIKeyRYASRGTYSJOHEA-UHFFFAOYSA-N
XLogP4.43
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea
CID 149435675
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 139834352
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide
CID 139915367
2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide
CID 139915368
1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone
CID 66713611
N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine
CID 102540283
2-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 5020711
5-(1-methylpyrrolidin-2-yl)-2-nitrosopyridine
CID 142692087
2-[5-[(2R)-1-methylazepan-2-yl]-2-pyridinyl]ethanethial
CID 22092623
N-cyclobutyl-5-(1-ethylpiperidin-2-yl)pyridin-2-amine
CID 102540395
tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 102540049
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea?
The IUPAC name of 1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea (CID 23263071) is 1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea.
What is the SMILES notation for 1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea?
The canonical SMILES for 1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea is CN1CCCCC1c1ccc(NC(=O)Nc2ccc(C3CCCCN3C)cn2)nc1.
What is the InChIKey of 1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea?
The InChIKey is RYASRGTYSJOHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-28-13-5-3-7-19(28)17-9-11-21(24-15-17)26-23(30)27-22-12-10-18(16-25-22)20-8-4-6-14-29(20)2/h9-12,15-16,19-20H,3-8,13-14H2,1-2H3,(H2,24,25,26,27,30).
What are the key properties of 1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea?
1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea has a molecular weight of 408.55 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea is sourced from PubChem (CID 23263071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).