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

C26H33N5O — CID 164612876

IUPACN-(piperidin-4-ylmethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCC1CCNCC1)c1c[nH]c2nc(-c3ccc(CN4CCCCC4)cc3)ccc12
InChIInChI=1S/C26H33N5O/c32-26(29-16-19-10-12-27-13-11-19)23-17-28-25-22(23)8-9-24(30-25)21-6-4-20(5-7-21)18-31-14-2-1-3-15-31/h4-9,17,19,27H,1-3,10-16,18H2,(H,28,30)(H,29,32)
InChIKeyWPTWYQPRRUSEDY-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.95
Rot. Bonds6

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

N-(piperidin-4-ylmethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 164612876) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID164612876
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC NameN-(piperidin-4-ylmethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCC1CCNCC1)c1c[nH]c2nc(-c3ccc(CN4CCCCC4)cc3)ccc12
InChIInChI=1S/C26H33N5O/c32-26(29-16-19-10-12-27-13-11-19)23-17-28-25-22(23)8-9-24(30-25)21-6-4-20(5-7-21)18-31-14-2-1-3-15-31/h4-9,17,19,27H,1-3,10-16,18H2,(H,28,30)(H,29,32)
InChIKeyWPTWYQPRRUSEDY-UHFFFAOYSA-N
XLogP3.95
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 164612876) is N-(piperidin-4-ylmethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(NCC1CCNCC1)c1c[nH]c2nc(-c3ccc(CN4CCCCC4)cc3)ccc12.
What is the InChIKey of N-(piperidin-4-ylmethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is WPTWYQPRRUSEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c32-26(29-16-19-10-12-27-13-11-19)23-17-28-25-22(23)8-9-24(30-25)21-6-4-20(5-7-21)18-31-14-2-1-3-15-31/h4-9,17,19,27H,1-3,10-16,18H2,(H,28,30)(H,29,32).
What are the key properties of N-(piperidin-4-ylmethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-(piperidin-4-ylmethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 164612876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).