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

C22H22N6O3S — CID 11848750

IUPACN-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCn1cc(-c2ccsc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O
InChIInChI=1S/C22H22N6O3S/c1-26-12-15(14-6-10-32-13-14)11-17(20(26)29)24-21(30)27-8-4-16(5-9-27)28-18-3-2-7-23-19(18)25-22(28)31/h2-3,6-7,10-13,16H,4-5,8-9H2,1H3,(H,24,30)(H,23,25,31)
InChIKeyIXTJFQPCKLOPDZ-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.02
Rot. Bonds3

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

N-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 11848750) has the molecular formula C22H22N6O3S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
PubChem CID11848750
Molecular FormulaC22H22N6O3S
Molecular Weight450.52 g/mol
Exact Mass450.15
IUPAC NameN-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCn1cc(-c2ccsc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O
InChIInChI=1S/C22H22N6O3S/c1-26-12-15(14-6-10-32-13-14)11-17(20(26)29)24-21(30)27-8-4-16(5-9-27)28-18-3-2-7-23-19(18)25-22(28)31/h2-3,6-7,10-13,16H,4-5,8-9H2,1H3,(H,24,30)(H,23,25,31)
InChIKeyIXTJFQPCKLOPDZ-UHFFFAOYSA-N
XLogP3.02
TPSA105.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 11848750) is N-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is Cn1cc(-c2ccsc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O.
What is the InChIKey of N-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The InChIKey is IXTJFQPCKLOPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S/c1-26-12-15(14-6-10-32-13-14)11-17(20(26)29)24-21(30)27-8-4-16(5-9-27)28-18-3-2-7-23-19(18)25-22(28)31/h2-3,6-7,10-13,16H,4-5,8-9H2,1H3,(H,24,30)(H,23,25,31).
What are the key properties of N-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
N-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11848750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).