6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C25H31N5O2 — CID 164618470

IUPAC6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCC1CCNCC1)c1c[nH]c2nc(-c3ccc(CN4CCOCC4)cc3)ccc12
InChIInChI=1S/C25H31N5O2/c31-25(28-15-18-7-9-26-10-8-18)22-16-27-24-21(22)5-6-23(29-24)20-3-1-19(2-4-20)17-30-11-13-32-14-12-30/h1-6,16,18,26H,7-15,17H2,(H,27,29)(H,28,31)
InChIKeyJONMCLFHXUPXEU-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.79
Rot. Bonds6

About 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 164618470) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID164618470
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCC1CCNCC1)c1c[nH]c2nc(-c3ccc(CN4CCOCC4)cc3)ccc12
InChIInChI=1S/C25H31N5O2/c31-25(28-15-18-7-9-26-10-8-18)22-16-27-24-21(22)5-6-23(29-24)20-3-1-19(2-4-20)17-30-11-13-32-14-12-30/h1-6,16,18,26H,7-15,17H2,(H,27,29)(H,28,31)
InChIKeyJONMCLFHXUPXEU-UHFFFAOYSA-N
XLogP2.79
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 164618470) is 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(NCC1CCNCC1)c1c[nH]c2nc(-c3ccc(CN4CCOCC4)cc3)ccc12.
What is the InChIKey of 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is JONMCLFHXUPXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c31-25(28-15-18-7-9-26-10-8-18)22-16-27-24-21(22)5-6-23(29-24)20-3-1-19(2-4-20)17-30-11-13-32-14-12-30/h1-6,16,18,26H,7-15,17H2,(H,27,29)(H,28,31).
What are the key properties of 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 164618470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).