N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C20H24N4O3S — CID 20921101

IUPACN-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCCOCCCNC(=O)c1ccc(NC(=O)N2CCSc3ncccc32)cc1
InChIInChI=1S/C20H24N4O3S/c1-2-27-13-4-11-21-18(25)15-6-8-16(9-7-15)23-20(26)24-12-14-28-19-17(24)5-3-10-22-19/h3,5-10H,2,4,11-14H2,1H3,(H,21,25)(H,23,26)
InChIKeyYJDLULQLQUADFF-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.38
Rot. Bonds7

About N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 20921101) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID20921101
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCCOCCCNC(=O)c1ccc(NC(=O)N2CCSc3ncccc32)cc1
InChIInChI=1S/C20H24N4O3S/c1-2-27-13-4-11-21-18(25)15-6-8-16(9-7-15)23-20(26)24-12-14-28-19-17(24)5-3-10-22-19/h3,5-10H,2,4,11-14H2,1H3,(H,21,25)(H,23,26)
InChIKeyYJDLULQLQUADFF-UHFFFAOYSA-N
XLogP3.38
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-oxo-2-(3-propylsulfanylpropylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921288
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921120
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921257
N-[3-(butan-2-ylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921133
N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921300
N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921165
N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 92691885
N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 92691884
6,8-dimethyl-N-[4-[3-(N-methylanilino)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 46279651
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
N-(3-ethoxypropyl)-2-hydrazinylpyridine-3-carboxamide
CID 62243078
6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921179

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 20921101) is N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is CCOCCCNC(=O)c1ccc(NC(=O)N2CCSc3ncccc32)cc1.
What is the InChIKey of N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is YJDLULQLQUADFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-2-27-13-4-11-21-18(25)15-6-8-16(9-7-15)23-20(26)24-12-14-28-19-17(24)5-3-10-22-19/h3,5-10H,2,4,11-14H2,1H3,(H,21,25)(H,23,26).
What are the key properties of N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 20921101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).