N-(2-piperidin-1-ylethyl)-4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide

C24H26N8O — CID 135262123

IUPACN-(2-piperidin-1-ylethyl)-4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cnccc1Nc1nc(-c2ccccn2)nn2cccc12
InChIInChI=1S/C24H26N8O/c33-24(27-12-16-31-13-4-1-5-14-31)18-17-25-11-9-19(18)28-23-21-8-6-15-32(21)30-22(29-23)20-7-2-3-10-26-20/h2-3,6-11,15,17H,1,4-5,12-14,16H2,(H,27,33)(H,25,28,29,30)
InChIKeyXNECSXXXAVERCS-UHFFFAOYSA-N
MW442.53 g/mol
LogP3.15
Rot. Bonds7

About N-(2-piperidin-1-ylethyl)-4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide

N-(2-piperidin-1-ylethyl)-4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide (PubChem CID 135262123) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide
PubChem CID135262123
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC NameN-(2-piperidin-1-ylethyl)-4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cnccc1Nc1nc(-c2ccccn2)nn2cccc12
InChIInChI=1S/C24H26N8O/c33-24(27-12-16-31-13-4-1-5-14-31)18-17-25-11-9-19(18)28-23-21-8-6-15-32(21)30-22(29-23)20-7-2-3-10-26-20/h2-3,6-11,15,17H,1,4-5,12-14,16H2,(H,27,33)(H,25,28,29,30)
InChIKeyXNECSXXXAVERCS-UHFFFAOYSA-N
XLogP3.15
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)-4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide (CID 135262123) is N-(2-piperidin-1-ylethyl)-4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide is O=C(NCCN1CCCCC1)c1cnccc1Nc1nc(-c2ccccn2)nn2cccc12.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is XNECSXXXAVERCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c33-24(27-12-16-31-13-4-1-5-14-31)18-17-25-11-9-19(18)28-23-21-8-6-15-32(21)30-22(29-23)20-7-2-3-10-26-20/h2-3,6-11,15,17H,1,4-5,12-14,16H2,(H,27,33)(H,25,28,29,30).
What are the key properties of N-(2-piperidin-1-ylethyl)-4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide?
N-(2-piperidin-1-ylethyl)-4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 442.53 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 135262123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).