N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

C26H28N6O4 — CID 11848800

IUPACN-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCOCCn1cc(-c2ccccc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O
InChIInChI=1S/C26H28N6O4/c1-36-15-14-31-17-19(18-6-3-2-4-7-18)16-21(24(31)33)28-25(34)30-12-9-20(10-13-30)32-22-8-5-11-27-23(22)29-26(32)35/h2-8,11,16-17,20H,9-10,12-15H2,1H3,(H,28,34)(H,27,29,35)
InChIKeyPIOUBGWUUHZQRI-UHFFFAOYSA-N
MW488.55 g/mol
LogP3.07
Rot. Bonds6

About N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 11848800) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
PubChem CID11848800
Molecular FormulaC26H28N6O4
Molecular Weight488.55 g/mol
Exact Mass488.22
IUPAC NameN-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCOCCn1cc(-c2ccccc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O
InChIInChI=1S/C26H28N6O4/c1-36-15-14-31-17-19(18-6-3-2-4-7-18)16-21(24(31)33)28-25(34)30-12-9-20(10-13-30)32-22-8-5-11-27-23(22)29-26(32)35/h2-8,11,16-17,20H,9-10,12-15H2,1H3,(H,28,34)(H,27,29,35)
InChIKeyPIOUBGWUUHZQRI-UHFFFAOYSA-N
XLogP3.07
TPSA114.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 11848800) is N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is COCCn1cc(-c2ccccc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O.
What is the InChIKey of N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The InChIKey is PIOUBGWUUHZQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-36-15-14-31-17-19(18-6-3-2-4-7-18)16-21(24(31)33)28-25(34)30-12-9-20(10-13-30)32-22-8-5-11-27-23(22)29-26(32)35/h2-8,11,16-17,20H,9-10,12-15H2,1H3,(H,28,34)(H,27,29,35).
What are the key properties of N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11848800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).