N-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine

C23H30N6O3S — CID 153402004

IUPACN-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine
SMILESCc1ccc(N2CCCC(COc3cccc4c3C(N)=NS(=O)N4)C2)nc1.O=CNC1CC1
InChIInChI=1S/C19H23N5O2S.C4H7NO/c1-13-7-8-17(21-10-13)24-9-3-4-14(11-24)12-26-16-6-2-5-15-18(16)19(20)23-27(25)22-15;6-3-5-4-1-2-4/h2,5-8,10,14,22H,3-4,9,11-12H2,1H3,(H2,20,23);3-4H,1-2H2,(H,5,6)
InChIKeyLRNPFSXYBITXOO-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.29
Rot. Bonds6

About N-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine

N-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine (PubChem CID 153402004) has the molecular formula C23H30N6O3S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine.

Molecular Properties

Compound NameN-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine
PubChem CID153402004
Molecular FormulaC23H30N6O3S
Molecular Weight470.60 g/mol
Exact Mass470.21
IUPAC NameN-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine
SMILESCc1ccc(N2CCCC(COc3cccc4c3C(N)=NS(=O)N4)C2)nc1.O=CNC1CC1
InChIInChI=1S/C19H23N5O2S.C4H7NO/c1-13-7-8-17(21-10-13)24-9-3-4-14(11-24)12-26-16-6-2-5-15-18(16)19(20)23-27(25)22-15;6-3-5-4-1-2-4/h2,5-8,10,14,22H,3-4,9,11-12H2,1H3,(H2,20,23);3-4H,1-2H2,(H,5,6)
InChIKeyLRNPFSXYBITXOO-UHFFFAOYSA-N
XLogP2.29
TPSA121.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbaldehyde;N-methylcyclopentanamine
CID 153401999
5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine
CID 153402010
3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidine-1-carbaldehyde
CID 144570300
2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide
CID 153402023
6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 153402003
1-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 154935387
3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 144570290
1-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 144570326
6-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-ethylpyridine-3-carboxamide
CID 146366295
2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine
CID 63392190
N-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 61204820
6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyridin-3-amine
CID 129414410

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine?
The IUPAC name of N-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine (CID 153402004) is N-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine.
What is the SMILES notation for N-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine?
The canonical SMILES for N-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine is Cc1ccc(N2CCCC(COc3cccc4c3C(N)=NS(=O)N4)C2)nc1.O=CNC1CC1.
What is the InChIKey of N-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine?
The InChIKey is LRNPFSXYBITXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S.C4H7NO/c1-13-7-8-17(21-10-13)24-9-3-4-14(11-24)12-26-16-6-2-5-15-18(16)19(20)23-27(25)22-15;6-3-5-4-1-2-4/h2,5-8,10,14,22H,3-4,9,11-12H2,1H3,(H2,20,23);3-4H,1-2H2,(H,5,6).
What are the key properties of N-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine?
N-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine has a molecular weight of 470.60 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine is sourced from PubChem (CID 153402004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).