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

C26H27N7O2 — CID 70320288

IUPAC3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-4-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCC(c1ccncc1)n1c(NC(=O)c2cccc(N)c2)nc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C26H27N7O2/c1-17(18-8-10-28-11-9-18)33-23-22(15-20(16-29-23)25(35)32-12-3-2-4-13-32)30-26(33)31-24(34)19-6-5-7-21(27)14-19/h5-11,14-17H,2-4,12-13,27H2,1H3,(H,30,31,34)
InChIKeyHPOWTWSAVWCVSO-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.90
Rot. Bonds5

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

3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-4-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide (PubChem CID 70320288) 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-4-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-4-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide
PubChem CID70320288
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-4-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCC(c1ccncc1)n1c(NC(=O)c2cccc(N)c2)nc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C26H27N7O2/c1-17(18-8-10-28-11-9-18)33-23-22(15-20(16-29-23)25(35)32-12-3-2-4-13-32)30-26(33)31-24(34)19-6-5-7-21(27)14-19/h5-11,14-17H,2-4,12-13,27H2,1H3,(H,30,31,34)
InChIKeyHPOWTWSAVWCVSO-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-3-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 89264638
3-amino-N-[3-[(4-methoxyphenyl)methyl]-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70317368
3-amino-N-[6-(4-hydroxypiperidine-1-carbonyl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70319496
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-amino-N-[6-[(3S)-3-methoxypiperidine-1-carbonyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 70318198
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-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-4-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The IUPAC name of 3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-4-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide (CID 70320288) is 3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-4-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-4-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The canonical SMILES for 3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-4-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide is CC(c1ccncc1)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-4-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The InChIKey is HPOWTWSAVWCVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-17(18-8-10-28-11-9-18)33-23-22(15-20(16-29-23)25(35)32-12-3-2-4-13-32)30-26(33)31-24(34)19-6-5-7-21(27)14-19/h5-11,14-17H,2-4,12-13,27H2,1H3,(H,30,31,34).
What are the key properties of 3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-4-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
3-amino-N-[6-(piperidine-1-carbonyl)-3-(1-pyridin-4-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-4-ylethyl)imidazo[4,5-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 70320288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).