N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide

C22H27N5O4S2 — CID 155590274

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide
SMILESCC(C)Nc1c(C(=O)NCCN2CCS(=O)(=O)CC2)cnc2sc(-c3ccc(=O)[nH]c3)cc12
InChIInChI=1S/C22H27N5O4S2/c1-14(2)26-20-16-11-18(15-3-4-19(28)24-12-15)32-22(16)25-13-17(20)21(29)23-5-6-27-7-9-33(30,31)10-8-27/h3-4,11-14H,5-10H2,1-2H3,(H,23,29)(H,24,28)(H,25,26)
InChIKeyRSXNFXXQRADFTO-UHFFFAOYSA-N
MW489.62 g/mol
LogP1.93
Rot. Bonds7

About N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide (PubChem CID 155590274) has the molecular formula C22H27N5O4S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide
PubChem CID155590274
Molecular FormulaC22H27N5O4S2
Molecular Weight489.62 g/mol
Exact Mass489.15
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide
SMILESCC(C)Nc1c(C(=O)NCCN2CCS(=O)(=O)CC2)cnc2sc(-c3ccc(=O)[nH]c3)cc12
InChIInChI=1S/C22H27N5O4S2/c1-14(2)26-20-16-11-18(15-3-4-19(28)24-12-15)32-22(16)25-13-17(20)21(29)23-5-6-27-7-9-33(30,31)10-8-27/h3-4,11-14H,5-10H2,1-2H3,(H,23,29)(H,24,28)(H,25,26)
InChIKeyRSXNFXXQRADFTO-UHFFFAOYSA-N
XLogP1.93
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide with MolForge

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Related Compounds

7-cyano-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693625
N-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide
CID 155590288
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methyl-5-nitropyridine-3-carboxamide
CID 51079802
1-(4-chlorophenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]pyrazole-4-carboxamide
CID 47056562
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 25176838
5-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]phenyl]-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-(ethylamino)thiophene-2-carboxamide
CID 56944876
N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride
CID 11511166
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 61241531
9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364468
4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 146274528
3-(2,4-difluorophenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86949170
N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20886611

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide (CID 155590274) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide is CC(C)Nc1c(C(=O)NCCN2CCS(=O)(=O)CC2)cnc2sc(-c3ccc(=O)[nH]c3)cc12.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is RSXNFXXQRADFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4S2/c1-14(2)26-20-16-11-18(15-3-4-19(28)24-12-15)32-22(16)25-13-17(20)21(29)23-5-6-27-7-9-33(30,31)10-8-27/h3-4,11-14H,5-10H2,1-2H3,(H,23,29)(H,24,28)(H,25,26).
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 155590274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).