5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid

C26H26N6O3 — CID 83289463

IUPAC5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCc1ccccc1C(=O)Nc1cnc(N2CCC(n3c(C)nc4cccnc43)CC2)c(C(=O)O)c1
InChIInChI=1S/C26H26N6O3/c1-16-6-3-4-7-20(16)25(33)30-18-14-21(26(34)35)23(28-15-18)31-12-9-19(10-13-31)32-17(2)29-22-8-5-11-27-24(22)32/h3-8,11,14-15,19H,9-10,12-13H2,1-2H3,(H,30,33)(H,34,35)
InChIKeyQIJZAOOTZLYATR-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.24
Rot. Bonds5

About 5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid

5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 83289463) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID83289463
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCc1ccccc1C(=O)Nc1cnc(N2CCC(n3c(C)nc4cccnc43)CC2)c(C(=O)O)c1
InChIInChI=1S/C26H26N6O3/c1-16-6-3-4-7-20(16)25(33)30-18-14-21(26(34)35)23(28-15-18)31-12-9-19(10-13-31)32-17(2)29-22-8-5-11-27-24(22)32/h3-8,11,14-15,19H,9-10,12-13H2,1-2H3,(H,30,33)(H,34,35)
InChIKeyQIJZAOOTZLYATR-UHFFFAOYSA-N
XLogP4.24
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 83289463) is 5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid is Cc1ccccc1C(=O)Nc1cnc(N2CCC(n3c(C)nc4cccnc43)CC2)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is QIJZAOOTZLYATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-16-6-3-4-7-20(16)25(33)30-18-14-21(26(34)35)23(28-15-18)31-12-9-19(10-13-31)32-17(2)29-22-8-5-11-27-24(22)32/h3-8,11,14-15,19H,9-10,12-13H2,1-2H3,(H,30,33)(H,34,35).
What are the key properties of 5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid?
5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 470.53 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 83289463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).