N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride

C19H22ClN5O2 — CID 171712960

About N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride

N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride (PubChem CID 171712960) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride
• PubChem CID: 171712960
• Molecular Formula: C19H22ClN5O2
• Molecular Weight: 387.87 g/mol
• Exact Mass: 387.15
• IUPAC Name: N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride
• SMILES: Cl.Cn1cnc2c(C(=O)N[C@]3(c4ccccc4)CCNC[C@H]3O)ccnc21
• InChI: InChI=1S/C19H21N5O2.ClH/c1-24-12-22-16-14(7-9-21-17(16)24)18(26)23-19(8-10-20-11-15(19)25)13-5-3-2-4-6-13;/h2-7,9,12,15,20,25H,8,10-11H2,1H3,(H,23,26);1H/t15-,19+;/m1./s1
• InChIKey: NEWZSRDGTKYOTF-WSCVZUBPSA-N
• XLogP: 1.37
• TPSA: 92.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.87
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride?

The IUPAC name of N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride (CID 171712960) is N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride.

What is the SMILES notation for N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride?

The canonical SMILES for N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride is Cl.Cn1cnc2c(C(=O)N[C@]3(c4ccccc4)CCNC[C@H]3O)ccnc21.

What is the InChIKey of N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride?

The InChIKey is NEWZSRDGTKYOTF-WSCVZUBPSA-N. The full InChI is InChI=1S/C19H21N5O2.ClH/c1-24-12-22-16-14(7-9-21-17(16)24)18(26)23-19(8-10-20-11-15(19)25)13-5-3-2-4-6-13;/h2-7,9,12,15,20,25H,8,10-11H2,1H3,(H,23,26);1H/t15-,19+;/m1./s1.

What are the key properties of N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride?

N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride has a molecular weight of 387.87 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride is sourced from PubChem (CID 171712960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).