3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide

C26H27N7O2 — CID 89264638

IUPAC3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCC(c1cccnc1)n1c(NC(=O)c2cccc(N)c2)nc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C26H27N7O2/c1-17(19-8-6-10-28-15-19)33-23-22(14-20(16-29-23)25(35)32-11-3-2-4-12-32)30-26(33)31-24(34)18-7-5-9-21(27)13-18/h5-10,13-17H,2-4,11-12,27H2,1H3,(H,30,31,34)
InChIKeyYGUCKNHYULOLMJ-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.90
Rot. Bonds5

About 3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide

3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide (PubChem CID 89264638) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide
PubChem CID89264638
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCC(c1cccnc1)n1c(NC(=O)c2cccc(N)c2)nc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C26H27N7O2/c1-17(19-8-6-10-28-15-19)33-23-22(14-20(16-29-23)25(35)32-11-3-2-4-12-32)30-26(33)31-24(34)18-7-5-9-21(27)13-18/h5-10,13-17H,2-4,11-12,27H2,1H3,(H,30,31,34)
InChIKeyYGUCKNHYULOLMJ-UHFFFAOYSA-N
XLogP3.90
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-4-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70320288
3-amino-N-[3-[(4-methoxyphenyl)methyl]-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70317368
(3-aminophenyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903343
3-amino-N-[6-(3-hydroxypiperidine-1-carbonyl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70318590
3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 59742876
3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 143413873
3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane
CID 143413872
3-amino-N-[6-(3,5-dimethylpiperidine-1-carbonyl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70319093
3-ethynyl-N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 15950359
3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 6939897
3-amino-N-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70318588
3-cyano-N-[3-[2-(methanesulfonamido)ethyl]-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 59742994

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The IUPAC name of 3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide (CID 89264638) is 3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The canonical SMILES for 3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide is CC(c1cccnc1)n1c(NC(=O)c2cccc(N)c2)nc2cc(C(=O)N3CCCCC3)cnc21.
What is the InChIKey of 3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The InChIKey is YGUCKNHYULOLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-17(19-8-6-10-28-15-19)33-23-22(14-20(16-29-23)25(35)32-11-3-2-4-12-32)30-26(33)31-24(34)18-7-5-9-21(27)13-18/h5-10,13-17H,2-4,11-12,27H2,1H3,(H,30,31,34).
What are the key properties of 3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide has a molecular weight of 469.55 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 89264638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).