N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C26H27N5O2 — CID 155679174

IUPACN-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C(Nc1cncc(OCC2CCN(Cc3ccccc3)CC2)c1)c1ccnc2[nH]ccc12
InChIInChI=1S/C26H27N5O2/c32-26(24-7-11-29-25-23(24)6-10-28-25)30-21-14-22(16-27-15-21)33-18-20-8-12-31(13-9-20)17-19-4-2-1-3-5-19/h1-7,10-11,14-16,20H,8-9,12-13,17-18H2,(H,28,29)(H,30,32)
InChIKeyNTIXCYUTHPYLGJ-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.50
Rot. Bonds7

About N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 155679174) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID155679174
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C(Nc1cncc(OCC2CCN(Cc3ccccc3)CC2)c1)c1ccnc2[nH]ccc12
InChIInChI=1S/C26H27N5O2/c32-26(24-7-11-29-25-23(24)6-10-28-25)30-21-14-22(16-27-15-21)33-18-20-8-12-31(13-9-20)17-19-4-2-1-3-5-19/h1-7,10-11,14-16,20H,8-9,12-13,17-18H2,(H,28,29)(H,30,32)
InChIKeyNTIXCYUTHPYLGJ-UHFFFAOYSA-N
XLogP4.50
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 155679174) is N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is O=C(Nc1cncc(OCC2CCN(Cc3ccccc3)CC2)c1)c1ccnc2[nH]ccc12.
What is the InChIKey of N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is NTIXCYUTHPYLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c32-26(24-7-11-29-25-23(24)6-10-28-25)30-21-14-22(16-27-15-21)33-18-20-8-12-31(13-9-20)17-19-4-2-1-3-5-19/h1-7,10-11,14-16,20H,8-9,12-13,17-18H2,(H,28,29)(H,30,32).
What are the key properties of N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 155679174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).