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

C26H28N6O5 — CID 11848855

IUPACN-[5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCOCCn1cc(-c2ccc(O)cc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O
InChIInChI=1S/C26H28N6O5/c1-37-14-13-31-16-18(17-4-6-20(33)7-5-17)15-21(24(31)34)28-25(35)30-11-8-19(9-12-30)32-22-3-2-10-27-23(22)29-26(32)36/h2-7,10,15-16,19,33H,8-9,11-14H2,1H3,(H,28,35)(H,27,29,36)
InChIKeyLONQIKJTQZJXGV-UHFFFAOYSA-N
MW504.55 g/mol
LogP2.77
Rot. Bonds6

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

N-[5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 11848855) has the molecular formula C26H28N6O5 and a molecular weight of 504.55 g/mol. Its IUPAC name is N-[5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
PubChem CID11848855
Molecular FormulaC26H28N6O5
Molecular Weight504.55 g/mol
Exact Mass504.21
IUPAC NameN-[5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCOCCn1cc(-c2ccc(O)cc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O
InChIInChI=1S/C26H28N6O5/c1-37-14-13-31-16-18(17-4-6-20(33)7-5-17)15-21(24(31)34)28-25(35)30-11-8-19(9-12-30)32-22-3-2-10-27-23(22)29-26(32)36/h2-7,10,15-16,19,33H,8-9,11-14H2,1H3,(H,28,35)(H,27,29,36)
InChIKeyLONQIKJTQZJXGV-UHFFFAOYSA-N
XLogP2.77
TPSA134.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.55
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 11848855) is N-[5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is COCCn1cc(-c2ccc(O)cc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O.
What is the InChIKey of N-[5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The InChIKey is LONQIKJTQZJXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O5/c1-37-14-13-31-16-18(17-4-6-20(33)7-5-17)15-21(24(31)34)28-25(35)30-11-8-19(9-12-30)32-22-3-2-10-27-23(22)29-26(32)36/h2-7,10,15-16,19,33H,8-9,11-14H2,1H3,(H,28,35)(H,27,29,36).
What are the key properties of N-[5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
N-[5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 504.55 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11848855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).