methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide

C18H25N3O6S — CID 87561327

IUPACmethanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide
SMILESCCCNCc1ccc(Oc2ccc(C(N)=O)cn2)c(OC)c1.CS(=O)(=O)O
InChIInChI=1S/C17H21N3O3.CH4O3S/c1-3-8-19-10-12-4-6-14(15(9-12)22-2)23-16-7-5-13(11-20-16)17(18)21;1-5(2,3)4/h4-7,9,11,19H,3,8,10H2,1-2H3,(H2,18,21);1H3,(H,2,3,4)
InChIKeyJFILNKMXKVQMEZ-UHFFFAOYSA-N
MW411.48 g/mol
LogP1.99
Rot. Bonds8

About methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide

methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 87561327) has the molecular formula C18H25N3O6S and a molecular weight of 411.48 g/mol. Its IUPAC name is methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Namemethanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide
PubChem CID87561327
Molecular FormulaC18H25N3O6S
Molecular Weight411.48 g/mol
Exact Mass411.15
IUPAC Namemethanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide
SMILESCCCNCc1ccc(Oc2ccc(C(N)=O)cn2)c(OC)c1.CS(=O)(=O)O
InChIInChI=1S/C17H21N3O3.CH4O3S/c1-3-8-19-10-12-4-6-14(15(9-12)22-2)23-16-7-5-13(11-20-16)17(18)21;1-5(2,3)4/h4-7,9,11,19H,3,8,10H2,1-2H3,(H2,18,21);1H3,(H,2,3,4)
InChIKeyJFILNKMXKVQMEZ-UHFFFAOYSA-N
XLogP1.99
TPSA140.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

6-[4-[(hexylamino)methyl]-2-methoxyphenoxy]pyridine-3-carboxamide;methanesulfonic acid
CID 87560034
3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 142891069
[[6-[2-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carbonyl]amino]methanesulfonic acid
CID 87559416
6-[4-[(3,3-dimethylbutylamino)methyl]-2-methoxyphenoxy]pyridazine-3-carboxamide;methanesulfonic acid
CID 87560923
6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide
CID 59730016
[[6-[4-[[2-(2-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]pyridine-3-carbonyl]amino]methanesulfonic acid
CID 90705192
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
1-[6-[4-[[2-(2,4-difluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]-3-pyridinyl]ethenamine
CID 89054451
[[6-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]pyridine-3-carbonyl]amino]methanesulfonic acid
CID 90748819
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
5-[(3,4-dimethoxyphenyl)methylamino]pentanamide
CID 106233498
N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide
CID 43278640

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide (CID 87561327) is methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide is CCCNCc1ccc(Oc2ccc(C(N)=O)cn2)c(OC)c1.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is JFILNKMXKVQMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.CH4O3S/c1-3-8-19-10-12-4-6-14(15(9-12)22-2)23-16-7-5-13(11-20-16)17(18)21;1-5(2,3)4/h4-7,9,11,19H,3,8,10H2,1-2H3,(H2,18,21);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide?
methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 87561327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).