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

C26H26N6O2 — CID 164621283

IUPACN-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cncc(NC(=O)c2ccnc3[nH]ccc23)c1
InChIInChI=1S/C26H26N6O2/c33-25(30-20-8-12-32(13-9-20)17-18-4-2-1-3-5-18)19-14-21(16-27-15-19)31-26(34)23-7-11-29-24-22(23)6-10-28-24/h1-7,10-11,14-16,20H,8-9,12-13,17H2,(H,28,29)(H,30,33)(H,31,34)
InChIKeyCWBJELZIHSQSHL-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.60
Rot. Bonds6

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

N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 164621283) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID164621283
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC NameN-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cncc(NC(=O)c2ccnc3[nH]ccc23)c1
InChIInChI=1S/C26H26N6O2/c33-25(30-20-8-12-32(13-9-20)17-18-4-2-1-3-5-18)19-14-21(16-27-15-19)31-26(34)23-7-11-29-24-22(23)6-10-28-24/h1-7,10-11,14-16,20H,8-9,12-13,17H2,(H,28,29)(H,30,33)(H,31,34)
InChIKeyCWBJELZIHSQSHL-UHFFFAOYSA-N
XLogP3.60
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 164621283) is N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cncc(NC(=O)c2ccnc3[nH]ccc23)c1.
What is the InChIKey of N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is CWBJELZIHSQSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c33-25(30-20-8-12-32(13-9-20)17-18-4-2-1-3-5-18)19-14-21(16-27-15-19)31-26(34)23-7-11-29-24-22(23)6-10-28-24/h1-7,10-11,14-16,20H,8-9,12-13,17H2,(H,28,29)(H,30,33)(H,31,34).
What are the key properties of N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 164621283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).