N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride

C20H26Cl2N4O3 — CID 119893250

IUPACN-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
SMILESCNC(=O)c1cc(Oc2cc(NC(=O)CC3CCCN3)ccc2C)ccn1.Cl.Cl
InChIInChI=1S/C20H24N4O3.2ClH/c1-13-5-6-15(24-19(25)11-14-4-3-8-22-14)10-18(13)27-16-7-9-23-17(12-16)20(26)21-2;;/h5-7,9-10,12,14,22H,3-4,8,11H2,1-2H3,(H,21,26)(H,24,25);2*1H
InChIKeyRCUDTFWNEFEIKO-UHFFFAOYSA-N
MW441.36 g/mol
LogP3.47
Rot. Bonds6

About N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride

N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride (PubChem CID 119893250) has the molecular formula C20H26Cl2N4O3 and a molecular weight of 441.36 g/mol. Its IUPAC name is N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
PubChem CID119893250
Molecular FormulaC20H26Cl2N4O3
Molecular Weight441.36 g/mol
Exact Mass440.14
IUPAC NameN-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
SMILESCNC(=O)c1cc(Oc2cc(NC(=O)CC3CCCN3)ccc2C)ccn1.Cl.Cl
InChIInChI=1S/C20H24N4O3.2ClH/c1-13-5-6-15(24-19(25)11-14-4-3-8-22-14)10-18(13)27-16-7-9-23-17(12-16)20(26)21-2;;/h5-7,9-10,12,14,22H,3-4,8,11H2,1-2H3,(H,21,26)(H,24,25);2*1H
InChIKeyRCUDTFWNEFEIKO-UHFFFAOYSA-N
XLogP3.47
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
CID 119893208
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119891569
N-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide
CID 119893257
4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893255
N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119786758
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
4-[5-[(1-aminocyclopropanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893205
4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
CID 119893224
N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119812384
4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893225
N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119713243
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride (CID 119893250) is N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride is CNC(=O)c1cc(Oc2cc(NC(=O)CC3CCCN3)ccc2C)ccn1.Cl.Cl.
What is the InChIKey of N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride?
The InChIKey is RCUDTFWNEFEIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3.2ClH/c1-13-5-6-15(24-19(25)11-14-4-3-8-22-14)10-18(13)27-16-7-9-23-17(12-16)20(26)21-2;;/h5-7,9-10,12,14,22H,3-4,8,11H2,1-2H3,(H,21,26)(H,24,25);2*1H.
What are the key properties of N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride?
N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 441.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119893250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).