N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide

C17H18FN5O2S — CID 144688468

IUPACN-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NSN2)NC(=O)c1ccnc(F)c1
InChIInChI=1S/C17H18FN5O2S/c1-17(2,21-16(24)10-6-7-20-13(18)8-10)9-25-12-5-3-4-11-14(12)15(19)23-26-22-11/h3-8,22H,9H2,1-2H3,(H2,19,23)(H,21,24)
InChIKeyAMMLMCDGCPDBGX-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.50
Rot. Bonds5

About N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide

N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 144688468) has the molecular formula C17H18FN5O2S and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide
PubChem CID144688468
Molecular FormulaC17H18FN5O2S
Molecular Weight375.43 g/mol
Exact Mass375.12
IUPAC NameN-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NSN2)NC(=O)c1ccnc(F)c1
InChIInChI=1S/C17H18FN5O2S/c1-17(2,21-16(24)10-6-7-20-13(18)8-10)9-25-12-5-3-4-11-14(12)15(19)23-26-22-11/h3-8,22H,9H2,1-2H3,(H2,19,23)(H,21,24)
InChIKeyAMMLMCDGCPDBGX-UHFFFAOYSA-N
XLogP2.50
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 135504134
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N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
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2-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide
CID 71086823
2-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide
CID 71086860
(R)-N-(3-Aminochroman-7-yl)-2-(trifluoromethyl)isonicotinamide
CID 118694682
4-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 10193180
US9663529, Example I-28
CID 121363969
US9663529, Example I-52
CID 121363974
N-{1-[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methyl-2-propanyl}isonicotinamide
CID 85469552

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide (CID 144688468) is N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide is CC(C)(COc1cccc2c1C(N)=NSN2)NC(=O)c1ccnc(F)c1.
What is the InChIKey of N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide?
The InChIKey is AMMLMCDGCPDBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2S/c1-17(2,21-16(24)10-6-7-20-13(18)8-10)9-25-12-5-3-4-11-14(12)15(19)23-26-22-11/h3-8,22H,9H2,1-2H3,(H2,19,23)(H,21,24).
What are the key properties of N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide?
N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 144688468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).